(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol

C11H12OS2 — CID 131197439

IUPAC(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1ccc2sc(CO)c(C)c2c1
InChIInChI=1S/C11H12OS2/c1-7-9-5-8(13-2)3-4-10(9)14-11(7)6-12/h3-5,12H,6H2,1-2H3
InChIKeyIKKPQWPYXDEQCU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds2

About (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol

(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 131197439) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID131197439
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1ccc2sc(CO)c(C)c2c1
InChIInChI=1S/C11H12OS2/c1-7-9-5-8(13-2)3-4-10(9)14-11(7)6-12/h3-5,12H,6H2,1-2H3
InChIKeyIKKPQWPYXDEQCU-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

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Related Compounds

(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130827118
(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 131124486
2-hydroxy-5-methylsulfanyl-1-benzothiophene-3-carbonitrile
CID 130884457
2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
(4,5-dimethyl-1-benzothiophen-2-yl)methanol
CID 131190841
5-methylsulfanyl-3-sulfanyl-1-benzothiophene-2-carbonitrile
CID 130951863
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
CID 130898901
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821327
2-methyl-5-methylsulfanyl-1,3-benzothiazole
CID 10954473
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol (CID 131197439) is (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol is CSc1ccc2sc(CO)c(C)c2c1.
What is the InChIKey of (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is IKKPQWPYXDEQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-7-9-5-8(13-2)3-4-10(9)14-11(7)6-12/h3-5,12H,6H2,1-2H3.
What are the key properties of (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
(3-methyl-5-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 (3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 131197439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).