6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol

C9H7FOS2 — CID 131219113

IUPAC6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1cc2ccc(F)c(O)c2s1
InChIInChI=1S/C9H7FOS2/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4,11H,1H3
InChIKeyVZWBXUDMTIPLFY-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.47
Rot. Bonds1

About 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol

6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol (PubChem CID 131219113) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol
PubChem CID131219113
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1cc2ccc(F)c(O)c2s1
InChIInChI=1S/C9H7FOS2/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4,11H,1H3
InChIKeyVZWBXUDMTIPLFY-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
CID 130898870
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
CID 130944032
7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821607
6-amino-2-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 130883281
4-bromo-7-fluoro-2-methylsulfanyl-1-benzothiophene
CID 131091429
7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
CID 130969983
5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821327
6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130885101
3-fluoro-6-methylsulfanylbenzene-1,2-diol;2-methylpropane
CID 142524524
7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol
CID 130955566
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
2-bromo-6-fluoro-3-methylsulfanylphenol
CID 118993315

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol?
The IUPAC name of 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol (CID 131219113) is 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol.
What is the SMILES notation for 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol?
The canonical SMILES for 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol is CSc1cc2ccc(F)c(O)c2s1.
What is the InChIKey of 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol?
The InChIKey is VZWBXUDMTIPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4,11H,1H3.
What are the key properties of 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol?
6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol has a molecular weight of 214.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol is sourced from PubChem (CID 131219113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).