tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate

C103H234N5O49P15S31 — CID 173156372

IUPACtert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
SMILESCCNC(=O)CSP(=S)(OC)OC.CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N.CCOP(=S)(OCC)OP(=S)(OCC)OCC.CCOP(=S)(OCC)SCCS(=O)CC.CCOP(=S)(OCC)SCSC(C)(C)C.CCOP(=S)(OCC)SCSCC.CCS(=O)CC(C)SP(=O)(OC)OC.CCS(=O)CCSP(=O)(OC)OC.CCSCCSP(=S)(OC)OC.CNC(=O)CSP(=S)(OC)OC.COC(=O)/C(C)=C/OP(=S)(OC)OC.COCCNC(=O)CSP(=S)(OC)OC.COP(=S)(OC)SCCSC(C)C
InChIInChI=1S/C10H19N2O4PS.C10H19O6PS2.C9H21O2PS3.C8H20O5P2S2.C8H19O3PS3.C7H16NO4PS2.C7H13O5PS.C7H17O4PS2.2C7H17O2PS3.C6H14NO3PS2.C6H15O4PS2.C6H15O2PS3.C5H12NO3PS2/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11;1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4;1-6-10-12(13,11-7-2)15-8-14-9(3,4)5;1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-4-10-12(13,11-5-2)14-7-8-15(9)6-3;1-10-5-4-8-7(9)6-15-13(14,11-2)12-3;1-6(7(8)9-2)5-12-13(14,10-3)11-4;1-5-14(9)6-7(2)13-12(8,10-3)11-4;1-7(2)12-5-6-13-10(11,8-3)9-4;1-4-8-10(11,9-5-2)13-7-12-6-3;1-4-7-6(8)5-13-11(12,9-2)10-3;1-4-13(8)6-5-12-11(7,9-2)10-3;1-4-11-5-6-12-9(10,7-2)8-3;1-6-5(7)4-12-10(11,8-2)9-3/h5-7H2,1-4H3,(H,12,13);8H,5-7H2,1-4H3;6-8H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3,(H,8,9);5H,1-4H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3,(H,7,8);4-6H2,1-3H3;4-6H2,1-3H3;4H2,1-3H3,(H,6,7)/b;;;;;;6-5+;;;;;;;
InChIKeyRBBSMAGEJQVDMO-GQYWUPINSA-N
MW3785.68 g/mol
LogP34.55
Rot. Bonds103

About tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate

tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate (PubChem CID 173156372) has the molecular formula C103H234N5O49P15S31 and a molecular weight of 3785.68 g/mol. Its IUPAC name is tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate.

Molecular Properties

Compound Nametert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
PubChem CID173156372
Molecular FormulaC103H234N5O49P15S31
Molecular Weight3785.68 g/mol
Exact Mass3781.34
IUPAC Nametert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
SMILESCCNC(=O)CSP(=S)(OC)OC.CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N.CCOP(=S)(OCC)OP(=S)(OCC)OCC.CCOP(=S)(OCC)SCCS(=O)CC.CCOP(=S)(OCC)SCSC(C)(C)C.CCOP(=S)(OCC)SCSCC.CCS(=O)CC(C)SP(=O)(OC)OC.CCS(=O)CCSP(=O)(OC)OC.CCSCCSP(=S)(OC)OC.CNC(=O)CSP(=S)(OC)OC.COC(=O)/C(C)=C/OP(=S)(OC)OC.COCCNC(=O)CSP(=S)(OC)OC.COP(=S)(OC)SCCSC(C)C
InChIInChI=1S/C10H19N2O4PS.C10H19O6PS2.C9H21O2PS3.C8H20O5P2S2.C8H19O3PS3.C7H16NO4PS2.C7H13O5PS.C7H17O4PS2.2C7H17O2PS3.C6H14NO3PS2.C6H15O4PS2.C6H15O2PS3.C5H12NO3PS2/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11;1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4;1-6-10-12(13,11-7-2)15-8-14-9(3,4)5;1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-4-10-12(13,11-5-2)14-7-8-15(9)6-3;1-10-5-4-8-7(9)6-15-13(14,11-2)12-3;1-6(7(8)9-2)5-12-13(14,10-3)11-4;1-5-14(9)6-7(2)13-12(8,10-3)11-4;1-7(2)12-5-6-13-10(11,8-3)9-4;1-4-8-10(11,9-5-2)13-7-12-6-3;1-4-7-6(8)5-13-11(12,9-2)10-3;1-4-13(8)6-5-12-11(7,9-2)10-3;1-4-11-5-6-12-9(10,7-2)8-3;1-6-5(7)4-12-10(11,8-2)9-3/h5-7H2,1-4H3,(H,12,13);8H,5-7H2,1-4H3;6-8H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3,(H,8,9);5H,1-4H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3,(H,7,8);4-6H2,1-3H3;4-6H2,1-3H3;4H2,1-3H3,(H,6,7)/b;;;;;;6-5+;;;;;;;
InChIKeyRBBSMAGEJQVDMO-GQYWUPINSA-N
XLogP34.55
TPSA626.10 Ų
H-Bond Donors4
H-Bond Acceptors78
Rotatable Bonds103
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003785.68
LogP ≤ 534.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1078

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate with MolForge

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Related Compounds

tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
CID 173035735
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
CID 87194701
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 87622218
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;hydrate
CID 121304179
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate
CID 159128366
1-O-tert-butyl 4-O-ethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
CID 87146600
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol
CID 175463799
ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane carbamate
CID 18924387
2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82180848
ethyl 3-diethoxyphosphorylsulfanylbutanoate
CID 11335086
diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
CID 87637862

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
The IUPAC name of tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate (CID 173156372) is tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate.
What is the SMILES notation for tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
The canonical SMILES for tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is CCNC(=O)CSP(=S)(OC)OC.CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N.CCOP(=S)(OCC)OP(=S)(OCC)OCC.CCOP(=S)(OCC)SCCS(=O)CC.CCOP(=S)(OCC)SCSC(C)(C)C.CCOP(=S)(OCC)SCSCC.CCS(=O)CC(C)SP(=O)(OC)OC.CCS(=O)CCSP(=O)(OC)OC.CCSCCSP(=S)(OC)OC.CNC(=O)CSP(=S)(OC)OC.COC(=O)/C(C)=C/OP(=S)(OC)OC.COCCNC(=O)CSP(=S)(OC)OC.COP(=S)(OC)SCCSC(C)C.
What is the InChIKey of tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
The InChIKey is RBBSMAGEJQVDMO-GQYWUPINSA-N. The full InChI is InChI=1S/C10H19N2O4PS.C10H19O6PS2.C9H21O2PS3.C8H20O5P2S2.C8H19O3PS3.C7H16NO4PS2.C7H13O5PS.C7H17O4PS2.2C7H17O2PS3.C6H14NO3PS2.C6H15O4PS2.C6H15O2PS3.C5H12NO3PS2/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11;1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4;1-6-10-12(13,11-7-2)15-8-14-9(3,4)5;1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-4-10-12(13,11-5-2)14-7-8-15(9)6-3;1-10-5-4-8-7(9)6-15-13(14,11-2)12-3;1-6(7(8)9-2)5-12-13(14,10-3)11-4;1-5-14(9)6-7(2)13-12(8,10-3)11-4;1-7(2)12-5-6-13-10(11,8-3)9-4;1-4-8-10(11,9-5-2)13-7-12-6-3;1-4-7-6(8)5-13-11(12,9-2)10-3;1-4-13(8)6-5-12-11(7,9-2)10-3;1-4-11-5-6-12-9(10,7-2)8-3;1-6-5(7)4-12-10(11,8-2)9-3/h5-7H2,1-4H3,(H,12,13);8H,5-7H2,1-4H3;6-8H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3,(H,8,9);5H,1-4H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3,(H,7,8);4-6H2,1-3H3;4-6H2,1-3H3;4H2,1-3H3,(H,6,7)/b;;;;;;6-5+;;;;;;;.
What are the key properties of tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate has a molecular weight of 3785.68 g/mol, XLogP of 34.55, 103 rotatable bonds, 4 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide;diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide;2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide;2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane;dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane;methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is sourced from PubChem (CID 173156372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).