[3-(methylsulfanyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 259958
• Molecular Formular: C7H11ClN2S
• Molecular Mass: 190.69364
• Monoisotopic Mass: 190.03314704
• SMILES: c1c(NN)cccc1SC.Cl
• Canonical SMILES: NNc1cccc(c1)SC.Cl
• InChI: InChI=1S/C7H10N2S.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H
• InChIKey: LFWNTXXHRMQLLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(methylsulfanyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [3-(methylsulfanyl)phenyl]hydrazine hydrochloride
• Synonyms: [3-(methylsulfanyl)phenyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD12197080
• PubChem SID: 164315868
• PubChem CID: 21110099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7921364
• LogD (pH = 7.4): 1.9898989
• Log P: 1.9931055
• Molar Refractivity: 48.5236 cm^3
• Polarizability: 17.782955 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 1.824

Product Information

• Purity: 95%