2-aminobenzenethiol;hydrofluoride

C6H8FNS — CID 175609011

IUPAC2-aminobenzenethiol;hydrofluoride
SMILESF.Nc1ccccc1S
InChIInChI=1S/C6H7NS.FH/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H
InChIKeyIZLOKKJTGHGJLX-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.71
Rot. Bonds

About 2-aminobenzenethiol;hydrofluoride

2-aminobenzenethiol;hydrofluoride (PubChem CID 175609011) has the molecular formula C6H8FNS and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-aminobenzenethiol;hydrofluoride.

Molecular Properties

Compound Name2-aminobenzenethiol;hydrofluoride
PubChem CID175609011
Molecular FormulaC6H8FNS
Molecular Weight145.20 g/mol
Exact Mass145.04
IUPAC Name2-aminobenzenethiol;hydrofluoride
SMILESF.Nc1ccccc1S
InChIInChI=1S/C6H7NS.FH/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H
InChIKeyIZLOKKJTGHGJLX-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.71
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 2-aminobenzenethiol;hydrofluoride with MolForge

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

Launch Full Analysis

Related Compounds

2-aminobenzenethiol;titanium
CID 157138164
CID 175973603
CID 175973603
2-aminobenzenethiol;gold
CID 90301635
2-aminobenzenethiol tetrafluoroborate
CID 160904546
2-aminobenzenethiol;6-aminocyclohexa-1,5-diene-1-thiol
CID 153375850
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
2-aminobenzenethiol;1,3-benzothiazole
CID 176901024
2-amino-6-sulfanylbenzonitrile
CID 91873913
bis(benzene-1,2-dithiol);nickel
CID 173096207
benzene-1,2-diamine;zinc
CID 70562194
8-aminonaphthalene-1-thiol
CID 12574382
2-aminobenzenethiol;aniline;1,3-benzothiazol-2-amine
CID 159847568

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenethiol;hydrofluoride?
The IUPAC name of 2-aminobenzenethiol;hydrofluoride (CID 175609011) is 2-aminobenzenethiol;hydrofluoride.
What is the SMILES notation for 2-aminobenzenethiol;hydrofluoride?
The canonical SMILES for 2-aminobenzenethiol;hydrofluoride is F.Nc1ccccc1S.
What is the InChIKey of 2-aminobenzenethiol;hydrofluoride?
The InChIKey is IZLOKKJTGHGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.FH/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H.
What are the key properties of 2-aminobenzenethiol;hydrofluoride?
2-aminobenzenethiol;hydrofluoride has a molecular weight of 145.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenethiol;hydrofluoride is sourced from PubChem (CID 175609011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).