(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol

C11H12OS2 — CID 131001484

IUPAC(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCCc1c(S)cc2sccc2c1CO
InChIInChI=1S/C11H12OS2/c1-2-7-9(6-12)8-3-4-14-11(8)5-10(7)13/h3-5,12-13H,2,6H2,1H3
InChIKeyGORQLHXQCGZUBI-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.24
Rot. Bonds2

About (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol

(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 131001484) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID131001484
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCCc1c(S)cc2sccc2c1CO
InChIInChI=1S/C11H12OS2/c1-2-7-9(6-12)8-3-4-14-11(8)5-10(7)13/h3-5,12-13H,2,6H2,1H3
InChIKeyGORQLHXQCGZUBI-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
CID 131014676
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
(6-methylsulfanyl-4-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130944101
(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448
(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130985925
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol (CID 131001484) is (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol is CCc1c(S)cc2sccc2c1CO.
What is the InChIKey of (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is GORQLHXQCGZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-2-7-9(6-12)8-3-4-14-11(8)5-10(7)13/h3-5,12-13H,2,6H2,1H3.
What are the key properties of (5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol?
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol has a molecular weight of 224.35 g/mol, XLogP of 3.24, 2 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-yl)methanol is sourced from PubChem (CID 131001484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).