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

C9H7FOS2 — CID 130942183

IUPAC2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol
SMILESCSc1ccc(O)c2cc(F)sc12
InChIInChI=1S/C9H7FOS2/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4,11H,1H3
InChIKeyMDWRXRCTSHIYPO-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.47
Rot. Bonds1

About 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol

2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol (PubChem CID 130942183) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol
PubChem CID130942183
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol
SMILESCSc1ccc(O)c2cc(F)sc12
InChIInChI=1S/C9H7FOS2/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4,11H,1H3
InChIKeyMDWRXRCTSHIYPO-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol (CID 130942183) is 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol is CSc1ccc(O)c2cc(F)sc12.
What is the InChIKey of 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol?
The InChIKey is MDWRXRCTSHIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4,11H,1H3.
What are the key properties of 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol?
2-fluoro-7-methylsulfanyl-1-benzothiophen-4-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 2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130942183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).