5-ethyl-6-sulfanyl-1-benzothiophen-4-ol

C10H10OS2 — CID 131014676

IUPAC5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
SMILESCCc1c(S)cc2sccc2c1O
InChIInChI=1S/C10H10OS2/c1-2-6-8(12)5-9-7(10(6)11)3-4-13-9/h3-5,11-12H,2H2,1H3
InChIKeyXDBYRLCIWIJRPE-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds1

About 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol

5-ethyl-6-sulfanyl-1-benzothiophen-4-ol (PubChem CID 131014676) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
PubChem CID131014676
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
SMILESCCc1c(S)cc2sccc2c1O
InChIInChI=1S/C10H10OS2/c1-2-6-8(12)5-9-7(10(6)11)3-4-13-9/h3-5,11-12H,2H2,1H3
InChIKeyXDBYRLCIWIJRPE-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol (CID 131014676) is 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol is CCc1c(S)cc2sccc2c1O.
What is the InChIKey of 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol?
The InChIKey is XDBYRLCIWIJRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-2-6-8(12)5-9-7(10(6)11)3-4-13-9/h3-5,11-12H,2H2,1H3.
What are the key properties of 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol?
5-ethyl-6-sulfanyl-1-benzothiophen-4-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 5-ethyl-6-sulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 131014676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).