2,4-diphenyl-3-phenylsulfanylbenzenethiol

C24H18S2 — CID 140802402

IUPAC2,4-diphenyl-3-phenylsulfanylbenzenethiol
SMILESSc1ccc(-c2ccccc2)c(Sc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18S2/c25-22-17-16-21(18-10-4-1-5-11-18)24(26-20-14-8-3-9-15-20)23(22)19-12-6-2-7-13-19/h1-17,25H
InChIKeyNKJKXUIEFAJPSP-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.46
Rot. Bonds4

About 2,4-diphenyl-3-phenylsulfanylbenzenethiol

2,4-diphenyl-3-phenylsulfanylbenzenethiol (PubChem CID 140802402) has the molecular formula C24H18S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,4-diphenyl-3-phenylsulfanylbenzenethiol.

Molecular Properties

Compound Name2,4-diphenyl-3-phenylsulfanylbenzenethiol
PubChem CID140802402
Molecular FormulaC24H18S2
Molecular Weight370.54 g/mol
Exact Mass370.08
IUPAC Name2,4-diphenyl-3-phenylsulfanylbenzenethiol
SMILESSc1ccc(-c2ccccc2)c(Sc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18S2/c25-22-17-16-21(18-10-4-1-5-11-18)24(26-20-14-8-3-9-15-20)23(22)19-12-6-2-7-13-19/h1-17,25H
InChIKeyNKJKXUIEFAJPSP-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-phenylsulfanylbenzenethiol?
The IUPAC name of 2,4-diphenyl-3-phenylsulfanylbenzenethiol (CID 140802402) is 2,4-diphenyl-3-phenylsulfanylbenzenethiol.
What is the SMILES notation for 2,4-diphenyl-3-phenylsulfanylbenzenethiol?
The canonical SMILES for 2,4-diphenyl-3-phenylsulfanylbenzenethiol is Sc1ccc(-c2ccccc2)c(Sc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-phenylsulfanylbenzenethiol?
The InChIKey is NKJKXUIEFAJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18S2/c25-22-17-16-21(18-10-4-1-5-11-18)24(26-20-14-8-3-9-15-20)23(22)19-12-6-2-7-13-19/h1-17,25H.
What are the key properties of 2,4-diphenyl-3-phenylsulfanylbenzenethiol?
2,4-diphenyl-3-phenylsulfanylbenzenethiol has a molecular weight of 370.54 g/mol, XLogP of 7.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-phenylsulfanylbenzenethiol is sourced from PubChem (CID 140802402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).