[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane

C9H12ClO2PS3 — CID 23274453

IUPAC[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)SSCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-15-7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyDUVCMKZKJYMTGN-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.74
Rot. Bonds6

About [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane

[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 23274453) has the molecular formula C9H12ClO2PS3 and a molecular weight of 314.82 g/mol. Its IUPAC name is [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID23274453
Molecular FormulaC9H12ClO2PS3
Molecular Weight314.82 g/mol
Exact Mass313.94
IUPAC Name[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)SSCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-15-7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyDUVCMKZKJYMTGN-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene
CID 11141449
bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854
(4-chlorophenyl)methyl thiohypochlorite
CID 57103251
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
CID 10193691
dimethoxyphosphinothioyl thiohypochlorite
CID 14250492
(4-chlorophenyl)methyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 23412655
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
(4-chlorophenyl)methyl-dimethoxysilane
CID 154408724
2-[(4-chlorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
CID 55027594
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
CID 104971612
3-(4-chlorophenyl)-1-dimethoxyphosphorylpropan-1-one
CID 13287894
methyl 3-[(4-chlorophenyl)methylsulfanyl]-2-phenylpropanoate
CID 114789998

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane (CID 23274453) is [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane is COP(=S)(OC)SSCc1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is DUVCMKZKJYMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-15-7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane?
[(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 314.82 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)methyldisulfanyl]-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23274453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).