bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane

C21H21PS4 — CID 3057410

IUPACbis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane
SMILESCSc1ccc(P(c2ccc(SC)cc2)c2ccc(S(C)=S)cc2)cc1
InChIInChI=1S/C21H21PS4/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)18-8-14-21(15-9-18)26(3)23/h4-15H,1-3H3
InChIKeyWZPYANBMTHWQIB-UHFFFAOYSA-N
MW432.64 g/mol
LogP4.96
Rot. Bonds6

About bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane

bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane (PubChem CID 3057410) has the molecular formula C21H21PS4 and a molecular weight of 432.64 g/mol. Its IUPAC name is bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane.

Molecular Properties

Compound Namebis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane
PubChem CID3057410
Molecular FormulaC21H21PS4
Molecular Weight432.64 g/mol
Exact Mass432.03
IUPAC Namebis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane
SMILESCSc1ccc(P(c2ccc(SC)cc2)c2ccc(S(C)=S)cc2)cc1
InChIInChI=1S/C21H21PS4/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)18-8-14-21(15-9-18)26(3)23/h4-15H,1-3H3
InChIKeyWZPYANBMTHWQIB-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane?
The IUPAC name of bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane (CID 3057410) is bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane.
What is the SMILES notation for bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane?
The canonical SMILES for bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane is CSc1ccc(P(c2ccc(SC)cc2)c2ccc(S(C)=S)cc2)cc1.
What is the InChIKey of bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane?
The InChIKey is WZPYANBMTHWQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21PS4/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)18-8-14-21(15-9-18)26(3)23/h4-15H,1-3H3.
What are the key properties of bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane?
bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane has a molecular weight of 432.64 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane is sourced from PubChem (CID 3057410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).