[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine

C13H19FN2S2 — CID 107130861

IUPAC[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2SCCSC2C)cc1F
InChIInChI=1S/C13H19FN2S2/c1-8-3-4-10(7-11(8)14)12(16-15)13-9(2)17-5-6-18-13/h3-4,7,9,12-13,16H,5-6,15H2,1-2H3
InChIKeyFIOGAMZEBZCMAG-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.88
Rot. Bonds3

About [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine

[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 107130861) has the molecular formula C13H19FN2S2 and a molecular weight of 286.44 g/mol. Its IUPAC name is [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID107130861
Molecular FormulaC13H19FN2S2
Molecular Weight286.44 g/mol
Exact Mass286.10
IUPAC Name[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2SCCSC2C)cc1F
InChIInChI=1S/C13H19FN2S2/c1-8-3-4-10(7-11(8)14)12(16-15)13-9(2)17-5-6-18-13/h3-4,7,9,12-13,16H,5-6,15H2,1-2H3
InChIKeyFIOGAMZEBZCMAG-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-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

[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259573
[(3-methyl-1,4-dithian-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105259470
[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
CID 105259440
[(3-fluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 107130969
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
(3-ethyl-1,4-dithian-2-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 107129073
[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 107131023
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
[(3-fluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107130834
[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259535

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (CID 107130861) is [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2SCCSC2C)cc1F.
What is the InChIKey of [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is FIOGAMZEBZCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S2/c1-8-3-4-10(7-11(8)14)12(16-15)13-9(2)17-5-6-18-13/h3-4,7,9,12-13,16H,5-6,15H2,1-2H3.
What are the key properties of [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 286.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 107130861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).