[2-(methylsulfanyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 269736
• Molecular Formular: C7H11ClN2S
• Molecular Mass: 190.69364
• Monoisotopic Mass: 190.03314704
• SMILES: c1(c(SC)cccc1)NN.Cl
• Canonical SMILES: CSc1ccccc1NN.Cl
• InChI: InChI=1S/C7H10N2S.ClH/c1-10-7-5-3-2-4-6(7)9-8;/h2-5,9H,8H2,1H3;1H
• InChIKey: JYWQRTCWYGSKQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(methylsulfanyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [2-(methylsulfanyl)phenyl]hydrazine hydrochloride
• Synonyms: [2-(methylsulfanyl)phenyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD16990682
• PubChem SID: 164325646
• PubChem CID: 21952754

CALCULATED PROPERTIES

• Acid pKa: 19.525986
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8267529
• LogD (pH = 7.4): 1.9905603
• Log P: 1.9931055
• Molar Refractivity: 48.5236 cm^3
• Polarizability: 17.784925 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 1.824

Product Information

• Purity: 95%