6-amino-2-fluoro-1-benzothiophene-3-thiol

C8H6FNS2 — CID 130816565

IUPAC6-amino-2-fluoro-1-benzothiophene-3-thiol
SMILESNc1ccc2c(S)c(F)sc2c1
InChIInChI=1S/C8H6FNS2/c9-8-7(11)5-2-1-4(10)3-6(5)12-8/h1-3,11H,10H2
InChIKeyPBBFISNFJRYARE-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.91
Rot. Bonds

About 6-amino-2-fluoro-1-benzothiophene-3-thiol

6-amino-2-fluoro-1-benzothiophene-3-thiol (PubChem CID 130816565) has the molecular formula C8H6FNS2 and a molecular weight of 199.28 g/mol. Its IUPAC name is 6-amino-2-fluoro-1-benzothiophene-3-thiol.

Molecular Properties

Compound Name6-amino-2-fluoro-1-benzothiophene-3-thiol
PubChem CID130816565
Molecular FormulaC8H6FNS2
Molecular Weight199.28 g/mol
Exact Mass198.99
IUPAC Name6-amino-2-fluoro-1-benzothiophene-3-thiol
SMILESNc1ccc2c(S)c(F)sc2c1
InChIInChI=1S/C8H6FNS2/c9-8-7(11)5-2-1-4(10)3-6(5)12-8/h1-3,11H,10H2
InChIKeyPBBFISNFJRYARE-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-2-fluoro-1-benzothiophene-3-thiol
CID 130803340
2-bromo-3-(difluoromethyl)-1-benzothiophen-6-amine
CID 131091577
2-bromo-3-methylsulfanyl-1-benzothiophen-6-amine
CID 131080327
dibenzothiophene-2,3,7-triamine
CID 166974357
6-amino-3-bromo-1-benzothiophen-2-ol
CID 130854983
2-(6-amino-2-bromo-1-benzothiophen-3-yl)acetonitrile
CID 131033952
3-chloro-2-methylsulfanyl-1-benzothiophen-6-amine
CID 131080286
2-(bromomethyl)-1-benzothiophene-3,6-diamine
CID 131030880
[1]benzothiolo[2,3-c]pyridin-7-amine
CID 118861170
dibenzothiophen-3-amine
CID 129172898
6-methylsulfanyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130941211
6-amino-3-hydroxy-1-benzothiophene-2-carbonitrile
CID 131138174

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-1-benzothiophene-3-thiol?
The IUPAC name of 6-amino-2-fluoro-1-benzothiophene-3-thiol (CID 130816565) is 6-amino-2-fluoro-1-benzothiophene-3-thiol.
What is the SMILES notation for 6-amino-2-fluoro-1-benzothiophene-3-thiol?
The canonical SMILES for 6-amino-2-fluoro-1-benzothiophene-3-thiol is Nc1ccc2c(S)c(F)sc2c1.
What is the InChIKey of 6-amino-2-fluoro-1-benzothiophene-3-thiol?
The InChIKey is PBBFISNFJRYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS2/c9-8-7(11)5-2-1-4(10)3-6(5)12-8/h1-3,11H,10H2.
What are the key properties of 6-amino-2-fluoro-1-benzothiophene-3-thiol?
6-amino-2-fluoro-1-benzothiophene-3-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 6-amino-2-fluoro-1-benzothiophene-3-thiol is sourced from PubChem (CID 130816565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).