(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol

C11H12OS2 — CID 130821638

IUPAC(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1ccc(C)c2sc(CO)cc12
InChIInChI=1S/C11H12OS2/c1-7-3-4-10(13-2)9-5-8(6-12)14-11(7)9/h3-5,12H,6H2,1-2H3
InChIKeyAKDLJOHMYKPSHC-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds2

About (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol

(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 130821638) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID130821638
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1ccc(C)c2sc(CO)cc12
InChIInChI=1S/C11H12OS2/c1-7-3-4-10(13-2)9-5-8(6-12)14-11(7)9/h3-5,12H,6H2,1-2H3
InChIKeyAKDLJOHMYKPSHC-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-methyl-4-methylsulfanyl-1-benzothiophen-2-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

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol (CID 130821638) is (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol is CSc1ccc(C)c2sc(CO)cc12.
What is the InChIKey of (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is AKDLJOHMYKPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-7-3-4-10(13-2)9-5-8(6-12)14-11(7)9/h3-5,12H,6H2,1-2H3.
What are the key properties of (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol has a molecular weight of 224.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130821638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).