5-fluoro-6-sulfanyl-1-benzothiophen-7-ol

C8H5FOS2 — CID 131196097

IUPAC5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
SMILESOc1c(S)c(F)cc2ccsc12
InChIInChI=1S/C8H5FOS2/c9-5-3-4-1-2-12-8(4)6(10)7(5)11/h1-3,10-11H
InChIKeyRVXGZMBEBREMMJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.03
Rot. Bonds

About 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol

5-fluoro-6-sulfanyl-1-benzothiophen-7-ol (PubChem CID 131196097) has the molecular formula C8H5FOS2 and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
PubChem CID131196097
Molecular FormulaC8H5FOS2
Molecular Weight200.26 g/mol
Exact Mass199.98
IUPAC Name5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
SMILESOc1c(S)c(F)cc2ccsc12
InChIInChI=1S/C8H5FOS2/c9-5-3-4-1-2-12-8(4)6(10)7(5)11/h1-3,10-11H
InChIKeyRVXGZMBEBREMMJ-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol?
The IUPAC name of 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol (CID 131196097) is 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol.
What is the SMILES notation for 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol?
The canonical SMILES for 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol is Oc1c(S)c(F)cc2ccsc12.
What is the InChIKey of 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol?
The InChIKey is RVXGZMBEBREMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FOS2/c9-5-3-4-1-2-12-8(4)6(10)7(5)11/h1-3,10-11H.
What are the key properties of 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol?
5-fluoro-6-sulfanyl-1-benzothiophen-7-ol has a molecular weight of 200.26 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-sulfanyl-1-benzothiophen-7-ol is sourced from PubChem (CID 131196097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).