6-amino-2-fluoro-3-methylbenzenethiol

C7H8FNS — CID 18435218

IUPAC6-amino-2-fluoro-3-methylbenzenethiol
SMILESCc1ccc(N)c(S)c1F
InChIInChI=1S/C7H8FNS/c1-4-2-3-5(9)7(10)6(4)8/h2-3,10H,9H2,1H3
InChIKeyQWCVUMGIOTZVBJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.01
Rot. Bonds

About 6-amino-2-fluoro-3-methylbenzenethiol

6-amino-2-fluoro-3-methylbenzenethiol (PubChem CID 18435218) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-amino-2-fluoro-3-methylbenzenethiol.

Molecular Properties

Compound Name6-amino-2-fluoro-3-methylbenzenethiol
PubChem CID18435218
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name6-amino-2-fluoro-3-methylbenzenethiol
SMILESCc1ccc(N)c(S)c1F
InChIInChI=1S/C7H8FNS/c1-4-2-3-5(9)7(10)6(4)8/h2-3,10H,9H2,1H3
InChIKeyQWCVUMGIOTZVBJ-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-2-fluoro-3-methylbenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-3-methylbenzenethiol?
The IUPAC name of 6-amino-2-fluoro-3-methylbenzenethiol (CID 18435218) is 6-amino-2-fluoro-3-methylbenzenethiol.
What is the SMILES notation for 6-amino-2-fluoro-3-methylbenzenethiol?
The canonical SMILES for 6-amino-2-fluoro-3-methylbenzenethiol is Cc1ccc(N)c(S)c1F.
What is the InChIKey of 6-amino-2-fluoro-3-methylbenzenethiol?
The InChIKey is QWCVUMGIOTZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-4-2-3-5(9)7(10)6(4)8/h2-3,10H,9H2,1H3.
What are the key properties of 6-amino-2-fluoro-3-methylbenzenethiol?
6-amino-2-fluoro-3-methylbenzenethiol has a molecular weight of 157.21 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-fluoro-3-methylbenzenethiol is sourced from PubChem (CID 18435218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).