2-amino-6-fluoro-1-benzothiophene-4-thiol

C8H6FNS2 — CID 130816475

IUPAC2-amino-6-fluoro-1-benzothiophene-4-thiol
SMILESNc1cc2c(S)cc(F)cc2s1
InChIInChI=1S/C8H6FNS2/c9-4-1-6(11)5-3-8(10)12-7(5)2-4/h1-3,11H,10H2
InChIKeyNOSGZUIUYHNICP-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.91
Rot. Bonds

About 2-amino-6-fluoro-1-benzothiophene-4-thiol

2-amino-6-fluoro-1-benzothiophene-4-thiol (PubChem CID 130816475) has the molecular formula C8H6FNS2 and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-amino-6-fluoro-1-benzothiophene-4-thiol.

Molecular Properties

Compound Name2-amino-6-fluoro-1-benzothiophene-4-thiol
PubChem CID130816475
Molecular FormulaC8H6FNS2
Molecular Weight199.28 g/mol
Exact Mass198.99
IUPAC Name2-amino-6-fluoro-1-benzothiophene-4-thiol
SMILESNc1cc2c(S)cc(F)cc2s1
InChIInChI=1S/C8H6FNS2/c9-4-1-6(11)5-3-8(10)12-7(5)2-4/h1-3,11H,10H2
InChIKeyNOSGZUIUYHNICP-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.91
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

(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130854599
2-amino-4-methylsulfanyl-1-benzothiophene-5-thiol
CID 130788782
thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
6-fluoro-1-benzothiophen-2-amine
CID 82597319
2-amino-4-fluoro-1-benzothiophene-6-carboxylic acid
CID 130816481
3-amino-6-fluoro-1-benzothiophene-4-thiol
CID 130816478
4-fluoro-6-nitro-1-benzothiophen-2-amine
CID 131014714
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
2-amino-5-(bromomethyl)-1-benzothiophene-4-thiol
CID 131138226
5-fluoro-4-methoxy-1-benzothiophen-2-amine
CID 131075976
6-amino-2-fluoro-1-benzothiophene-3-thiol
CID 130816565
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-1-benzothiophene-4-thiol?
The IUPAC name of 2-amino-6-fluoro-1-benzothiophene-4-thiol (CID 130816475) is 2-amino-6-fluoro-1-benzothiophene-4-thiol.
What is the SMILES notation for 2-amino-6-fluoro-1-benzothiophene-4-thiol?
The canonical SMILES for 2-amino-6-fluoro-1-benzothiophene-4-thiol is Nc1cc2c(S)cc(F)cc2s1.
What is the InChIKey of 2-amino-6-fluoro-1-benzothiophene-4-thiol?
The InChIKey is NOSGZUIUYHNICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS2/c9-4-1-6(11)5-3-8(10)12-7(5)2-4/h1-3,11H,10H2.
What are the key properties of 2-amino-6-fluoro-1-benzothiophene-4-thiol?
2-amino-6-fluoro-1-benzothiophene-4-thiol has a molecular weight of 199.28 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-1-benzothiophene-4-thiol is sourced from PubChem (CID 130816475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).