2-[bis(2-sulfanylphenyl)methyl]benzenethiol

C19H16S3 — CID 19977290

IUPAC2-[bis(2-sulfanylphenyl)methyl]benzenethiol
SMILESSc1ccccc1C(c1ccccc1S)c1ccccc1S
InChIInChI=1S/C19H16S3/c20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)22/h1-12,19-22H
InChIKeyFHYOJDLWRUYQSN-UHFFFAOYSA-N
MW340.54 g/mol
LogP5.73
Rot. Bonds3

About 2-[bis(2-sulfanylphenyl)methyl]benzenethiol

2-[bis(2-sulfanylphenyl)methyl]benzenethiol (PubChem CID 19977290) has the molecular formula C19H16S3 and a molecular weight of 340.54 g/mol. Its IUPAC name is 2-[bis(2-sulfanylphenyl)methyl]benzenethiol.

Molecular Properties

Compound Name2-[bis(2-sulfanylphenyl)methyl]benzenethiol
PubChem CID19977290
Molecular FormulaC19H16S3
Molecular Weight340.54 g/mol
Exact Mass340.04
IUPAC Name2-[bis(2-sulfanylphenyl)methyl]benzenethiol
SMILESSc1ccccc1C(c1ccccc1S)c1ccccc1S
InChIInChI=1S/C19H16S3/c20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)22/h1-12,19-22H
InChIKeyFHYOJDLWRUYQSN-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-sulfanylphenyl)methyl]benzenethiol?
The IUPAC name of 2-[bis(2-sulfanylphenyl)methyl]benzenethiol (CID 19977290) is 2-[bis(2-sulfanylphenyl)methyl]benzenethiol.
What is the SMILES notation for 2-[bis(2-sulfanylphenyl)methyl]benzenethiol?
The canonical SMILES for 2-[bis(2-sulfanylphenyl)methyl]benzenethiol is Sc1ccccc1C(c1ccccc1S)c1ccccc1S.
What is the InChIKey of 2-[bis(2-sulfanylphenyl)methyl]benzenethiol?
The InChIKey is FHYOJDLWRUYQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S3/c20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)22/h1-12,19-22H.
What are the key properties of 2-[bis(2-sulfanylphenyl)methyl]benzenethiol?
2-[bis(2-sulfanylphenyl)methyl]benzenethiol has a molecular weight of 340.54 g/mol, XLogP of 5.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-sulfanylphenyl)methyl]benzenethiol is sourced from PubChem (CID 19977290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).