6-fluoro-5-sulfanyl-1-benzothiophen-4-ol

C8H5FOS2 — CID 130854610

IUPAC6-fluoro-5-sulfanyl-1-benzothiophen-4-ol
SMILESOc1c(S)c(F)cc2sccc12
InChIInChI=1S/C8H5FOS2/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,10-11H
InChIKeyVSFFTKPQZLZGKS-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.03
Rot. Bonds

About 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol

6-fluoro-5-sulfanyl-1-benzothiophen-4-ol (PubChem CID 130854610) has the molecular formula C8H5FOS2 and a molecular weight of 200.26 g/mol. Its IUPAC name is 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-fluoro-5-sulfanyl-1-benzothiophen-4-ol
PubChem CID130854610
Molecular FormulaC8H5FOS2
Molecular Weight200.26 g/mol
Exact Mass199.98
IUPAC Name6-fluoro-5-sulfanyl-1-benzothiophen-4-ol
SMILESOc1c(S)c(F)cc2sccc12
InChIInChI=1S/C8H5FOS2/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,10-11H
InChIKeyVSFFTKPQZLZGKS-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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Related Compounds

5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
CID 131196097
6-amino-1-benzothiophene-4,5-diol
CID 84657940
5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
CID 131014676
4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
4-iodo-1-benzothiophene-5,6-diol
CID 131034090
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
6-fluoro-4-methyl-1-benzothiophen-7-ol
CID 130942182
4,6-dibromo-1-benzothiophen-5-ol
CID 59580169
6-methoxy-5-methylsulfanyl-1-benzothiophene-4-thiol
CID 130971317
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol (CID 130854610) is 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol is Oc1c(S)c(F)cc2sccc12.
What is the InChIKey of 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol?
The InChIKey is VSFFTKPQZLZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FOS2/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,10-11H.
What are the key properties of 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol?
6-fluoro-5-sulfanyl-1-benzothiophen-4-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 6-fluoro-5-sulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130854610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).