6-amino-7-fluoro-1-benzothiophene-5-thiol

C8H6FNS2 — CID 130816569

IUPAC6-amino-7-fluoro-1-benzothiophene-5-thiol
SMILESNc1c(S)cc2ccsc2c1F
InChIInChI=1S/C8H6FNS2/c9-6-7(10)5(11)3-4-1-2-12-8(4)6/h1-3,11H,10H2
InChIKeyHPYSIPDNPVTDTP-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.91
Rot. Bonds

About 6-amino-7-fluoro-1-benzothiophene-5-thiol

6-amino-7-fluoro-1-benzothiophene-5-thiol (PubChem CID 130816569) has the molecular formula C8H6FNS2 and a molecular weight of 199.28 g/mol. Its IUPAC name is 6-amino-7-fluoro-1-benzothiophene-5-thiol.

Molecular Properties

Compound Name6-amino-7-fluoro-1-benzothiophene-5-thiol
PubChem CID130816569
Molecular FormulaC8H6FNS2
Molecular Weight199.28 g/mol
Exact Mass198.99
IUPAC Name6-amino-7-fluoro-1-benzothiophene-5-thiol
SMILESNc1c(S)cc2ccsc2c1F
InChIInChI=1S/C8H6FNS2/c9-6-7(10)5(11)3-4-1-2-12-8(4)6/h1-3,11H,10H2
InChIKeyHPYSIPDNPVTDTP-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

6,7-diamino-1-benzothiophene-5-thiol
CID 131169667
7-bromo-6-chloro-1-benzothiophene-5-thiol
CID 131030970
5-chloro-7-methyl-1-benzothiophen-6-amine
CID 130969770
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
CID 131196097
6-methoxy-7-methyl-1-benzothiophene-5-thiol
CID 130944023
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene
CID 130840062
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
5-bromo-4-fluoro-1-benzothiophene-7-thiol
CID 131031238
5-amino-7-sulfanyl-1-benzothiophen-6-ol
CID 131122569

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-fluoro-1-benzothiophene-5-thiol?
The IUPAC name of 6-amino-7-fluoro-1-benzothiophene-5-thiol (CID 130816569) is 6-amino-7-fluoro-1-benzothiophene-5-thiol.
What is the SMILES notation for 6-amino-7-fluoro-1-benzothiophene-5-thiol?
The canonical SMILES for 6-amino-7-fluoro-1-benzothiophene-5-thiol is Nc1c(S)cc2ccsc2c1F.
What is the InChIKey of 6-amino-7-fluoro-1-benzothiophene-5-thiol?
The InChIKey is HPYSIPDNPVTDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS2/c9-6-7(10)5(11)3-4-1-2-12-8(4)6/h1-3,11H,10H2.
What are the key properties of 6-amino-7-fluoro-1-benzothiophene-5-thiol?
6-amino-7-fluoro-1-benzothiophene-5-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-7-fluoro-1-benzothiophene-5-thiol is sourced from PubChem (CID 130816569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).