4-ethyl-3-sulfanyl-1-benzothiophen-7-ol

C10H10OS2 — CID 131123131

IUPAC4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
SMILESCCc1ccc(O)c2scc(S)c12
InChIInChI=1S/C10H10OS2/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-5,11-12H,2H2,1H3
InChIKeyXAWPNXDJYGNACU-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds1

About 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol

4-ethyl-3-sulfanyl-1-benzothiophen-7-ol (PubChem CID 131123131) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
PubChem CID131123131
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
SMILESCCc1ccc(O)c2scc(S)c12
InChIInChI=1S/C10H10OS2/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-5,11-12H,2H2,1H3
InChIKeyXAWPNXDJYGNACU-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol 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 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol?
The IUPAC name of 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol (CID 131123131) is 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol.
What is the SMILES notation for 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol?
The canonical SMILES for 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol is CCc1ccc(O)c2scc(S)c12.
What is the InChIKey of 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol?
The InChIKey is XAWPNXDJYGNACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-5,11-12H,2H2,1H3.
What are the key properties of 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol?
4-ethyl-3-sulfanyl-1-benzothiophen-7-ol has a molecular weight of 210.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-sulfanyl-1-benzothiophen-7-ol is sourced from PubChem (CID 131123131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).