6-methyl-3-sulfanyl-1-benzothiophen-2-ol

C9H8OS2 — CID 130961928

IUPAC6-methyl-3-sulfanyl-1-benzothiophen-2-ol
SMILESCc1ccc2c(S)c(O)sc2c1
InChIInChI=1S/C9H8OS2/c1-5-2-3-6-7(4-5)12-9(10)8(6)11/h2-4,10-11H,1H3
InChIKeyREZJHVXMNMBIRT-UHFFFAOYSA-N
MW196.30 g/mol
LogP3.20
Rot. Bonds

About 6-methyl-3-sulfanyl-1-benzothiophen-2-ol

6-methyl-3-sulfanyl-1-benzothiophen-2-ol (PubChem CID 130961928) has the molecular formula C9H8OS2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 6-methyl-3-sulfanyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name6-methyl-3-sulfanyl-1-benzothiophen-2-ol
PubChem CID130961928
Molecular FormulaC9H8OS2
Molecular Weight196.30 g/mol
Exact Mass196.00
IUPAC Name6-methyl-3-sulfanyl-1-benzothiophen-2-ol
SMILESCc1ccc2c(S)c(O)sc2c1
InChIInChI=1S/C9H8OS2/c1-5-2-3-6-7(4-5)12-9(10)8(6)11/h2-4,10-11H,1H3
InChIKeyREZJHVXMNMBIRT-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-methylsulfanyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130941211
3-(bromomethyl)-6-methyl-1-benzothiophen-2-ol
CID 130803678
2-(3,6-dimethylthieno[3,2-b][1]benzothiol-2-yl)-6-methyl-1-benzothiophene-3-thiol
CID 118011779
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
CID 130803524
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
CID 143237418
7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
CID 146520517
4,7-dimethylthiochromene-2-thione
CID 12630081
6-(chloromethyl)-3-methyl-1-benzothiophen-2-ol
CID 130971138
2-chloro-3-fluoro-6-methyl-1-benzothiophene
CID 129075511
5-methyl-3-sulfanyl-1-benzothiophene-2-carboxylic acid
CID 130959828

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-sulfanyl-1-benzothiophen-2-ol?
The IUPAC name of 6-methyl-3-sulfanyl-1-benzothiophen-2-ol (CID 130961928) is 6-methyl-3-sulfanyl-1-benzothiophen-2-ol.
What is the SMILES notation for 6-methyl-3-sulfanyl-1-benzothiophen-2-ol?
The canonical SMILES for 6-methyl-3-sulfanyl-1-benzothiophen-2-ol is Cc1ccc2c(S)c(O)sc2c1.
What is the InChIKey of 6-methyl-3-sulfanyl-1-benzothiophen-2-ol?
The InChIKey is REZJHVXMNMBIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS2/c1-5-2-3-6-7(4-5)12-9(10)8(6)11/h2-4,10-11H,1H3.
What are the key properties of 6-methyl-3-sulfanyl-1-benzothiophen-2-ol?
6-methyl-3-sulfanyl-1-benzothiophen-2-ol has a molecular weight of 196.30 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-sulfanyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130961928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).