5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol

C9H7FOS2 — CID 131196121

IUPAC5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1c(F)cc(O)c2sccc12
InChIInChI=1S/C9H7FOS2/c1-12-8-5-2-3-13-9(5)7(11)4-6(8)10/h2-4,11H,1H3
InChIKeyNOMHVEHMOVRLAK-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.47
Rot. Bonds1

About 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol

5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol (PubChem CID 131196121) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
PubChem CID131196121
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1c(F)cc(O)c2sccc12
InChIInChI=1S/C9H7FOS2/c1-12-8-5-2-3-13-9(5)7(11)4-6(8)10/h2-4,11H,1H3
InChIKeyNOMHVEHMOVRLAK-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

7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
5,7-diiodo-4-methylsulfanyl-1-benzothiophene
CID 130969546
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
6-fluoro-4-methyl-1-benzothiophen-7-ol
CID 130942182
7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
CID 130821413
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 131002434
6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol
CID 130913391
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine
CID 130855379

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol?
The IUPAC name of 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol (CID 131196121) is 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol.
What is the SMILES notation for 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol?
The canonical SMILES for 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol is CSc1c(F)cc(O)c2sccc12.
What is the InChIKey of 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol?
The InChIKey is NOMHVEHMOVRLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c1-12-8-5-2-3-13-9(5)7(11)4-6(8)10/h2-4,11H,1H3.
What are the key properties of 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol?
5-fluoro-4-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 5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol is sourced from PubChem (CID 131196121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).