{[4-(methylsulfanyl)phenyl]methyl}hydrazine

• ChemBase ID: 239612
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: N(N)Cc1ccc(SC)cc1
• Canonical SMILES: NNCc1ccc(cc1)SC
• InChI: InChI=1S/C8H12N2S/c1-11-8-4-2-7(3-5-8)6-10-9/h2-5,10H,6,9H2,1H3
• InChIKey: BOEOTSIOHJVDKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(methylsulfanyl)phenyl]methyl}hydrazine
• IUPAC Traditional name: {[4-(methylsulfanyl)phenyl]methyl}hydrazine
• Synonyms: {[4-(methylsulfanyl)phenyl]methyl}hydrazine

Database IDs

• MDL Number: MFCD07786411
• PubChem SID: 164295522
• PubChem CID: 28084492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3401787
• LogD (pH = 7.4): 1.5393409
• Log P: 1.542576
• Molar Refractivity: 62.2672 cm^3
• Polarizability: 19.923004 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.263

Product Information

• Purity: 95%