(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol

C11H12OS2 — CID 130944032

IUPAC(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
SMILESCSc1cc2ccc(CO)c(C)c2s1
InChIInChI=1S/C11H12OS2/c1-7-9(6-12)4-3-8-5-10(13-2)14-11(7)8/h3-5,12H,6H2,1-2H3
InChIKeySDMKVMLHKRMHOU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds2

About (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol

(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol (PubChem CID 130944032) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
PubChem CID130944032
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
SMILESCSc1cc2ccc(CO)c(C)c2s1
InChIInChI=1S/C11H12OS2/c1-7-9(6-12)4-3-8-5-10(13-2)14-11(7)8/h3-5,12H,6H2,1-2H3
InChIKeySDMKVMLHKRMHOU-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 (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol (CID 130944032) is (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol is CSc1cc2ccc(CO)c(C)c2s1.
What is the InChIKey of (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol?
The InChIKey is SDMKVMLHKRMHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-7-9(6-12)4-3-8-5-10(13-2)14-11(7)8/h3-5,12H,6H2,1-2H3.
What are the key properties of (7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol?
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-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-2-methylsulfanyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130944032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).