3,4-bis(ethylsulfanyl)thiophene

C8H12S3 — CID 12933457

IUPAC3,4-bis(ethylsulfanyl)thiophene
SMILESCCSc1cscc1SCC
InChIInChI=1S/C8H12S3/c1-3-10-7-5-9-6-8(7)11-4-2/h5-6H,3-4H2,1-2H3
InChIKeyMCSOFSNLIDVKRH-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.97
Rot. Bonds4

About 3,4-bis(ethylsulfanyl)thiophene

3,4-bis(ethylsulfanyl)thiophene (PubChem CID 12933457) has the molecular formula C8H12S3 and a molecular weight of 204.38 g/mol. Its IUPAC name is 3,4-bis(ethylsulfanyl)thiophene.

Molecular Properties

Compound Name3,4-bis(ethylsulfanyl)thiophene
PubChem CID12933457
Molecular FormulaC8H12S3
Molecular Weight204.38 g/mol
Exact Mass204.01
IUPAC Name3,4-bis(ethylsulfanyl)thiophene
SMILESCCSc1cscc1SCC
InChIInChI=1S/C8H12S3/c1-3-10-7-5-9-6-8(7)11-4-2/h5-6H,3-4H2,1-2H3
InChIKeyMCSOFSNLIDVKRH-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-bis(ethylsulfanyl)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 3,4-bis(ethylsulfanyl)thiophene?
The IUPAC name of 3,4-bis(ethylsulfanyl)thiophene (CID 12933457) is 3,4-bis(ethylsulfanyl)thiophene.
What is the SMILES notation for 3,4-bis(ethylsulfanyl)thiophene?
The canonical SMILES for 3,4-bis(ethylsulfanyl)thiophene is CCSc1cscc1SCC.
What is the InChIKey of 3,4-bis(ethylsulfanyl)thiophene?
The InChIKey is MCSOFSNLIDVKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S3/c1-3-10-7-5-9-6-8(7)11-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-bis(ethylsulfanyl)thiophene?
3,4-bis(ethylsulfanyl)thiophene has a molecular weight of 204.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethylsulfanyl)thiophene is sourced from PubChem (CID 12933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).