3-fluoro-2-hydrazinylbenzenethiol

C6H7FN2S — CID 130997370

IUPAC3-fluoro-2-hydrazinylbenzenethiol
SMILESNNc1c(F)cccc1S
InChIInChI=1S/C6H7FN2S/c7-4-2-1-3-5(10)6(4)9-8/h1-3,9-10H,8H2
InChIKeyVIKQLKDMPMFOLS-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.40
Rot. Bonds1

About 3-fluoro-2-hydrazinylbenzenethiol

3-fluoro-2-hydrazinylbenzenethiol (PubChem CID 130997370) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinylbenzenethiol.

Molecular Properties

Compound Name3-fluoro-2-hydrazinylbenzenethiol
PubChem CID130997370
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name3-fluoro-2-hydrazinylbenzenethiol
SMILESNNc1c(F)cccc1S
InChIInChI=1S/C6H7FN2S/c7-4-2-1-3-5(10)6(4)9-8/h1-3,9-10H,8H2
InChIKeyVIKQLKDMPMFOLS-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-fluoro-2-hydrazinylbenzenethiol 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-fluorobenzenethiol;hydrate
CID 174992919
CID 172795322
CID 172795322
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
(2-fluoro-6-methoxyphenyl)hydrazine;phosphoric acid
CID 138619962
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
(2-chloro-3-fluorophenyl)hydrazine
CID 55280948
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 55258868
1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
CID 116512729

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinylbenzenethiol?
The IUPAC name of 3-fluoro-2-hydrazinylbenzenethiol (CID 130997370) is 3-fluoro-2-hydrazinylbenzenethiol.
What is the SMILES notation for 3-fluoro-2-hydrazinylbenzenethiol?
The canonical SMILES for 3-fluoro-2-hydrazinylbenzenethiol is NNc1c(F)cccc1S.
What is the InChIKey of 3-fluoro-2-hydrazinylbenzenethiol?
The InChIKey is VIKQLKDMPMFOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c7-4-2-1-3-5(10)6(4)9-8/h1-3,9-10H,8H2.
What are the key properties of 3-fluoro-2-hydrazinylbenzenethiol?
3-fluoro-2-hydrazinylbenzenethiol has a molecular weight of 158.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinylbenzenethiol is sourced from PubChem (CID 130997370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).