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

C11H12OS2 — CID 131196586

IUPAC(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1c(CO)sc2cccc(C)c12
InChIInChI=1S/C11H12OS2/c1-7-4-3-5-8-10(7)11(13-2)9(6-12)14-8/h3-5,12H,6H2,1-2H3
InChIKeyQSOWVHTVYNIHRS-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds2

About (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol

(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 131196586) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID131196586
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1c(CO)sc2cccc(C)c12
InChIInChI=1S/C11H12OS2/c1-7-4-3-5-8-10(7)11(13-2)9(6-12)14-8/h3-5,12H,6H2,1-2H3
InChIKeyQSOWVHTVYNIHRS-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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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol (CID 131196586) is (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol is CSc1c(CO)sc2cccc(C)c12.
What is the InChIKey of (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is QSOWVHTVYNIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-7-4-3-5-8-10(7)11(13-2)9(6-12)14-8/h3-5,12H,6H2,1-2H3.
What are the key properties of (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol?
(4-methyl-3-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 (4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 131196586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).