carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride

C46H87Cl5F3N4O23P7S3 — CID 157378034

IUPACcarbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride
SMILESCC(C)CP(=O)(F)OC(C)C.CC(C)OP(C)(=O)F.CC(OP(C)(=O)F)C(C)(C)C.CCOP(=O)(Cl)OCC.CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.O=C(Cl)Cl.O=S(Cl)Cl.[C-]#[N+]P(=O)(OCC)N(C)C
InChIInChI=1S/C10H14NO5PS.C8H10NO5PS.2C7H16FO2P.C5H11N2O2P.C4H10ClO3P.C4H10FO2P.CCl2O.Cl2OS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11;1-6(7(2,3)4)10-11(5,8)9;1-6(2)5-11(8,9)10-7(3)4;1-5-9-10(8,6-2)7(3)4;1-3-7-9(5,6)8-4-2;1-4(2)7-8(3,5)6;2-1(3)4;1-4(2)3/h5-8H,3-4H2,1-2H3;3-6H,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5H2,1,3-4H3;3-4H2,1-2H3;4H,1-3H3;;
InChIKeyBKNSSENZGGUQCE-UHFFFAOYSA-N
MW1611.48 g/mol
LogP21.07
Rot. Bonds27

About carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride

carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride (PubChem CID 157378034) has the molecular formula C46H87Cl5F3N4O23P7S3 and a molecular weight of 1611.48 g/mol. Its IUPAC name is carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride.

Molecular Properties

Compound Namecarbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride
PubChem CID157378034
Molecular FormulaC46H87Cl5F3N4O23P7S3
Molecular Weight1611.48 g/mol
Exact Mass1608.15
IUPAC Namecarbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride
SMILESCC(C)CP(=O)(F)OC(C)C.CC(C)OP(C)(=O)F.CC(OP(C)(=O)F)C(C)(C)C.CCOP(=O)(Cl)OCC.CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.O=C(Cl)Cl.O=S(Cl)Cl.[C-]#[N+]P(=O)(OCC)N(C)C
InChIInChI=1S/C10H14NO5PS.C8H10NO5PS.2C7H16FO2P.C5H11N2O2P.C4H10ClO3P.C4H10FO2P.CCl2O.Cl2OS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11;1-6(7(2,3)4)10-11(5,8)9;1-6(2)5-11(8,9)10-7(3)4;1-5-9-10(8,6-2)7(3)4;1-3-7-9(5,6)8-4-2;1-4(2)7-8(3,5)6;2-1(3)4;1-4(2)3/h5-8H,3-4H2,1-2H3;3-6H,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5H2,1,3-4H3;3-4H2,1-2H3;4H,1-3H3;;
InChIKeyBKNSSENZGGUQCE-UHFFFAOYSA-N
XLogP21.07
TPSA324.13 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.48
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride with MolForge

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Related Compounds

diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc
CID 135125865
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane
CID 56842438
methyl (4-nitrophenyl) propan-2-yl phosphate
CID 71452799
ethoxy-[2-[ethoxy-(4-nitrophenoxy)phosphinothioyl]ethyl]-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
CID 23412936
N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
CID 75872502
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
ethyl (2S)-2-[[chloro-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 58664005
ethyl 2-[[ethoxy-(4-nitrophenoxy)phosphoryl]amino]-2-methylpropanoate
CID 138655609
methyl (2S)-2-[[[[(2S)-1-(2-ethylbutoxy)-1-oxopropan-2-yl]amino]-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 156835206
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
propan-2-yl (2R)-2-methyl-3-[(4-nitrophenoxy)-phenoxyphosphoryl]propanoate
CID 123227091

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride?
The IUPAC name of carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride (CID 157378034) is carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride.
What is the SMILES notation for carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride?
The canonical SMILES for carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride is CC(C)CP(=O)(F)OC(C)C.CC(C)OP(C)(=O)F.CC(OP(C)(=O)F)C(C)(C)C.CCOP(=O)(Cl)OCC.CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.O=C(Cl)Cl.O=S(Cl)Cl.[C-]#[N+]P(=O)(OCC)N(C)C.
What is the InChIKey of carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride?
The InChIKey is BKNSSENZGGUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5PS.C8H10NO5PS.2C7H16FO2P.C5H11N2O2P.C4H10ClO3P.C4H10FO2P.CCl2O.Cl2OS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11;1-6(7(2,3)4)10-11(5,8)9;1-6(2)5-11(8,9)10-7(3)4;1-5-9-10(8,6-2)7(3)4;1-3-7-9(5,6)8-4-2;1-4(2)7-8(3,5)6;2-1(3)4;1-4(2)3/h5-8H,3-4H2,1-2H3;3-6H,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5H2,1,3-4H3;3-4H2,1-2H3;4H,1-3H3;;.
What are the key properties of carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride?
carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride has a molecular weight of 1611.48 g/mol, XLogP of 21.07, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;1-[chloro(ethoxy)phosphoryl]oxyethane;diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;N-[ethoxy(isocyano)phosphoryl]-N-methylmethanamine;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[fluoro(methyl)phosphoryl]oxypropane;1-[fluoro(propan-2-yloxy)phosphoryl]-2-methylpropane;thionyl dichloride is sourced from PubChem (CID 157378034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).