dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride

C27H24AuCl3OP2S — CID 139088086

IUPACdichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
SMILESClCCl.O=P(/C=C/P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].[Cl-]
InChIInChI=1S/C26H22OP2S.CH2Cl2.Au.ClH/c27-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-29(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26;2-1-3;;/h1-22H;1H2;;1H/q;;+1;/p-1/b22-21+;;;
InChIKeyXWXHIMRNOWNIOT-ZRUFZDNISA-M
MW761.83 g/mol
LogP4.03
Rot. Bonds6

About dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride

dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride (PubChem CID 139088086) has the molecular formula C27H24AuCl3OP2S and a molecular weight of 761.83 g/mol. Its IUPAC name is dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride.

Molecular Properties

Compound Namedichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
PubChem CID139088086
Molecular FormulaC27H24AuCl3OP2S
Molecular Weight761.83 g/mol
Exact Mass759.98
IUPAC Namedichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
SMILESClCCl.O=P(/C=C/P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].[Cl-]
InChIInChI=1S/C26H22OP2S.CH2Cl2.Au.ClH/c27-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-29(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26;2-1-3;;/h1-22H;1H2;;1H/q;;+1;/p-1/b22-21+;;;
InChIKeyXWXHIMRNOWNIOT-ZRUFZDNISA-M
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500761.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride?
The IUPAC name of dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride (CID 139088086) is dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride.
What is the SMILES notation for dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride?
The canonical SMILES for dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride is ClCCl.O=P(/C=C/P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].[Cl-].
What is the InChIKey of dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride?
The InChIKey is XWXHIMRNOWNIOT-ZRUFZDNISA-M. The full InChI is InChI=1S/C26H22OP2S.CH2Cl2.Au.ClH/c27-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-29(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26;2-1-3;;/h1-22H;1H2;;1H/q;;+1;/p-1/b22-21+;;;.
What are the key properties of dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride?
dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride has a molecular weight of 761.83 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride is sourced from PubChem (CID 139088086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).