2,5-bis(phenylsulfanyl)thiophene

C16H12S3 — CID 3782500

IUPAC2,5-bis(phenylsulfanyl)thiophene
SMILESc1ccc(Sc2ccc(Sc3ccccc3)s2)cc1
InChIInChI=1S/C16H12S3/c1-3-7-13(8-4-1)17-15-11-12-16(19-15)18-14-9-5-2-6-10-14/h1-12H
InChIKeyAPJZNEIPPWWGLM-UHFFFAOYSA-N
MW300.47 g/mol
LogP6.05
Rot. Bonds4

About 2,5-bis(phenylsulfanyl)thiophene

2,5-bis(phenylsulfanyl)thiophene (PubChem CID 3782500) has the molecular formula C16H12S3 and a molecular weight of 300.47 g/mol. Its IUPAC name is 2,5-bis(phenylsulfanyl)thiophene.

Molecular Properties

Compound Name2,5-bis(phenylsulfanyl)thiophene
PubChem CID3782500
Molecular FormulaC16H12S3
Molecular Weight300.47 g/mol
Exact Mass300.01
IUPAC Name2,5-bis(phenylsulfanyl)thiophene
SMILESc1ccc(Sc2ccc(Sc3ccccc3)s2)cc1
InChIInChI=1S/C16H12S3/c1-3-7-13(8-4-1)17-15-11-12-16(19-15)18-14-9-5-2-6-10-14/h1-12H
InChIKeyAPJZNEIPPWWGLM-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-bis(phenylsulfanyl)thiophene 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 2,5-bis(phenylsulfanyl)thiophene?
The IUPAC name of 2,5-bis(phenylsulfanyl)thiophene (CID 3782500) is 2,5-bis(phenylsulfanyl)thiophene.
What is the SMILES notation for 2,5-bis(phenylsulfanyl)thiophene?
The canonical SMILES for 2,5-bis(phenylsulfanyl)thiophene is c1ccc(Sc2ccc(Sc3ccccc3)s2)cc1.
What is the InChIKey of 2,5-bis(phenylsulfanyl)thiophene?
The InChIKey is APJZNEIPPWWGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12S3/c1-3-7-13(8-4-1)17-15-11-12-16(19-15)18-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,5-bis(phenylsulfanyl)thiophene?
2,5-bis(phenylsulfanyl)thiophene has a molecular weight of 300.47 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylsulfanyl)thiophene is sourced from PubChem (CID 3782500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).