[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol

C10H14OS — CID 42586921

IUPAC[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
SMILESC[C@H]1CCc2c(CO)csc2C1
InChIInChI=1S/C10H14OS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h6-7,11H,2-5H2,1H3/t7-/m0/s1
InChIKeyXLMAEWQHUUGJMV-ZETCQYMHSA-N
MW182.29 g/mol
LogP2.37
Rot. Bonds1

About [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol

[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol (PubChem CID 42586921) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
PubChem CID42586921
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
SMILESC[C@H]1CCc2c(CO)csc2C1
InChIInChI=1S/C10H14OS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h6-7,11H,2-5H2,1H3/t7-/m0/s1
InChIKeyXLMAEWQHUUGJMV-ZETCQYMHSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 82025068
(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
CID 53275703
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
N-(3-hydroxy-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 65037426
(2S)-3-hydroxy-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 61153367
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 60742649
N-methoxy-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55027960
(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236486
N-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 79194597
2-methyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 62676927
N-(2-chloroprop-2-enyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 113238614

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol?
The IUPAC name of [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol (CID 42586921) is [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol?
The canonical SMILES for [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol is C[C@H]1CCc2c(CO)csc2C1.
What is the InChIKey of [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol?
The InChIKey is XLMAEWQHUUGJMV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14OS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h6-7,11H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol?
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol has a molecular weight of 182.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 42586921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).