1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane

C32H36P2S2 — CID 23415993

IUPAC1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCC(CCP(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36P2S2/c1-2-3-8-21-32(34(36,30-22-13-6-14-23-30)31-24-15-7-16-25-31)26-27-33(35,28-17-9-4-10-18-28)29-19-11-5-12-20-29/h4-7,9-20,22-25,32H,2-3,8,21,26-27H2,1H3
InChIKeyVSBALGONMSJNHV-UHFFFAOYSA-N
MW546.72 g/mol
LogP7.59
Rot. Bonds12

About 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane

1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 23415993) has the molecular formula C32H36P2S2 and a molecular weight of 546.72 g/mol. Its IUPAC name is 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID23415993
Molecular FormulaC32H36P2S2
Molecular Weight546.72 g/mol
Exact Mass546.17
IUPAC Name1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCC(CCP(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36P2S2/c1-2-3-8-21-32(34(36,30-22-13-6-14-23-30)31-24-15-7-16-25-31)26-27-33(35,28-17-9-4-10-18-28)29-19-11-5-12-20-29/h4-7,9-20,22-25,32H,2-3,8,21,26-27H2,1H3
InChIKeyVSBALGONMSJNHV-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 13159128
didodecyl-methylidene-phenyl-λ5-phosphane
CID 139749154
[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
2-(triphenyl-λ5-phosphanylidene)undecan-3-ol
CID 11743555
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
CID 58843291
CID 58843291

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane (CID 23415993) is 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane is CCCCCC(CCP(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is VSBALGONMSJNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36P2S2/c1-2-3-8-21-32(34(36,30-22-13-6-14-23-30)31-24-15-7-16-25-31)26-27-33(35,28-17-9-4-10-18-28)29-19-11-5-12-20-29/h4-7,9-20,22-25,32H,2-3,8,21,26-27H2,1H3.
What are the key properties of 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane?
1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 546.72 g/mol, XLogP of 7.59, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23415993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).