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

C75H173O35P11S24 — CID 173035735

IUPACtert-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
SMILESCCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.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.COC(=O)/C(C)=C/OP(=S)(OC)OC.COP(=S)(OC)SCCSC(C)C
InChIInChI=1S/C10H19O6PS2.C9H21O2PS3.C8H20O5P2S2.C8H19O3PS3.C7H13O5PS.C7H17O4PS2.2C7H17O2PS3.C6H15O4PS2.C6H15O2PS3/c1-5-15-9(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;1-6(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;1-4-13(8)6-5-12-11(7,9-2)10-3;1-4-11-5-6-12-9(10,7-2)8-3/h8H,5-7H2,1-4H3;6-8H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;5H,1-4H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3/b;;;;6-5+;;;;;
InChIKeyJZWJHRCSAQIIBG-AMCRDSOKSA-N
MW2745.50 g/mol
LogP28.87
Rot. Bonds76

About 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

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 (PubChem CID 173035735) has the molecular formula C75H173O35P11S24 and a molecular weight of 2745.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID173035735
Molecular FormulaC75H173O35P11S24
Molecular Weight2745.50 g/mol
Exact Mass2742.22
IUPAC Nametert-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
SMILESCCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.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.COC(=O)/C(C)=C/OP(=S)(OC)OC.COP(=S)(OC)SCCSC(C)C
InChIInChI=1S/C10H19O6PS2.C9H21O2PS3.C8H20O5P2S2.C8H19O3PS3.C7H13O5PS.C7H17O4PS2.2C7H17O2PS3.C6H15O4PS2.C6H15O2PS3/c1-5-15-9(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;1-6(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;1-4-13(8)6-5-12-11(7,9-2)10-3;1-4-11-5-6-12-9(10,7-2)8-3/h8H,5-7H2,1-4H3;6-8H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;5H,1-4H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3/b;;;;6-5+;;;;;
InChIKeyJZWJHRCSAQIIBG-AMCRDSOKSA-N
XLogP28.87
TPSA385.77 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds76
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002745.50
LogP ≤ 528.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

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;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.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.COC(=O)/C(C)=C/OP(=S)(OC)OC.COP(=S)(OC)SCCSC(C)C.
What is the InChIKey of 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?
The InChIKey is JZWJHRCSAQIIBG-AMCRDSOKSA-N. The full InChI is InChI=1S/C10H19O6PS2.C9H21O2PS3.C8H20O5P2S2.C8H19O3PS3.C7H13O5PS.C7H17O4PS2.2C7H17O2PS3.C6H15O4PS2.C6H15O2PS3/c1-5-15-9(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;1-6(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;1-4-13(8)6-5-12-11(7,9-2)10-3;1-4-11-5-6-12-9(10,7-2)8-3/h8H,5-7H2,1-4H3;6-8H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;5H,1-4H3;7H,5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3/b;;;;6-5+;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2745.50 g/mol, XLogP of 28.87, 76 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 173035735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).