7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol

C9H7FOS2 — CID 130942191

IUPAC7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol
SMILESCSc1csc2c(F)cc(O)cc12
InChIInChI=1S/C9H7FOS2/c1-12-8-4-13-9-6(8)2-5(11)3-7(9)10/h2-4,11H,1H3
InChIKeyJABSOVOLZYKGAQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.47
Rot. Bonds1

About 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol

7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol (PubChem CID 130942191) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol
PubChem CID130942191
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol
SMILESCSc1csc2c(F)cc(O)cc12
InChIInChI=1S/C9H7FOS2/c1-12-8-4-13-9-6(8)2-5(11)3-7(9)10/h2-4,11H,1H3
InChIKeyJABSOVOLZYKGAQ-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

3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol
CID 130944026
6-fluoro-3-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 130792312
3-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-ol
CID 130821591
7-fluoro-5-methylsulfanyl-1-benzothiophene-3-thiol
CID 130913414
3-methylsulfanyl-1-benzothiophene-4,7-diol
CID 130969427
7-(difluoromethyl)-1-benzothiophene-3,5-diol
CID 131031223
3-methylsulfanyl-1-benzothiophene-7-carboxylic acid
CID 18784106
6-iodo-3-methylsulfanyl-1-benzothiophen-7-amine
CID 131145198
3,4,5-trifluorophenol
CID 2777943
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
3-chloro-5-fluoro-4-methylsulfanylphenol
CID 84664407

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol?
The IUPAC name of 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol (CID 130942191) is 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol.
What is the SMILES notation for 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol?
The canonical SMILES for 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol is CSc1csc2c(F)cc(O)cc12.
What is the InChIKey of 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol?
The InChIKey is JABSOVOLZYKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c1-12-8-4-13-9-6(8)2-5(11)3-7(9)10/h2-4,11H,1H3.
What are the key properties of 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol?
7-fluoro-3-methylsulfanyl-1-benzothiophen-5-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 7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol is sourced from PubChem (CID 130942191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).