(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol

C11H12OS2 — CID 130985925

IUPAC(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
SMILESCSc1cc2sccc2c(CO)c1C
InChIInChI=1S/C11H12OS2/c1-7-9(6-12)8-3-4-14-11(8)5-10(7)13-2/h3-5,12H,6H2,1-2H3
InChIKeyRTXVZDFBPTVMHI-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds2

About (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol

(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 130985925) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID130985925
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
SMILESCSc1cc2sccc2c(CO)c1C
InChIInChI=1S/C11H12OS2/c1-7-9(6-12)8-3-4-14-11(8)5-10(7)13-2/h3-5,12H,6H2,1-2H3
InChIKeyRTXVZDFBPTVMHI-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 (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol (CID 130985925) is (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol is CSc1cc2sccc2c(CO)c1C.
What is the InChIKey of (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is RTXVZDFBPTVMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-7-9(6-12)8-3-4-14-11(8)5-10(7)13-2/h3-5,12H,6H2,1-2H3.
What are the key properties of (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol?
(5-methyl-6-methylsulfanyl-1-benzothiophen-4-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 (5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130985925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).