[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine

C12H17FN2S — CID 105255608

IUPAC[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CCCS2)c1
InChIInChI=1S/C12H17FN2S/c1-8-5-9(7-10(13)6-8)12(15-14)11-3-2-4-16-11/h5-7,11-12,15H,2-4,14H2,1H3
InChIKeyOTMJFIYSHHIULR-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.53
Rot. Bonds3

About [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine

[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255608) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255608
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CCCS2)c1
InChIInChI=1S/C12H17FN2S/c1-8-5-9(7-10(13)6-8)12(15-14)11-3-2-4-16-11/h5-7,11-12,15H,2-4,14H2,1H3
InChIKeyOTMJFIYSHHIULR-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine 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

[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105249449
N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627878
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
[(3-fluoro-5-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107194457
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255377
N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626640
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
CID 107292378
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255608) is [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine is Cc1cc(F)cc(C(NN)C2CCCS2)c1.
What is the InChIKey of [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is OTMJFIYSHHIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-8-5-9(7-10(13)6-8)12(15-14)11-3-2-4-16-11/h5-7,11-12,15H,2-4,14H2,1H3.
What are the key properties of [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 240.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).