[4-(methylsulfanyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 10455
• Molecular Formular: C7H11ClN2S
• Molecular Mass: 190.69364
• Monoisotopic Mass: 190.03314704
• SMILES: c1c(ccc(c1)NN)SC.Cl
• Canonical SMILES: NNc1ccc(cc1)SC.Cl
• InChI: InChI=1S/C7H10N2S.ClH/c1-10-7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
• InChIKey: FIOHWWJATARMKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(methylsulfanyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(methylsulfanyl)phenyl]hydrazine hydrochloride
• Synonyms: 4-Hydrazinothioanisole hydrochloride; 4-Hydrazinophenyl methyl sulphide hydrochloride; 4-(Methylthio)phenylhydrazine hydrochloride; (4-Methylsulfanylphenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 35588-53-5
• MDL Number: MFCD04039174
• PubChem SID: 160973762
• PubChem CID: 2760977

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.7805882
• LogD (pH = 7.4): 1.9896665
• Log P: 1.9931055
• Molar Refractivity: 48.5236 cm^3
• Polarizability: 17.779593 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Melting Point: 197°C; 197°C(dec)

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon/Keep Cold
• TSCA Listed: false