2-(methylsulfanyl)ethanimidamide hydrochloride

• ChemBase ID: 239256
• Molecular Formular: C3H9ClN2S
• Molecular Mass: 140.63496
• Monoisotopic Mass: 140.01749698
• SMILES: C(=N)(N)CSC.Cl
• Canonical SMILES: CSCC(=N)N.Cl
• InChI: InChI=1S/C3H8N2S.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H3,4,5);1H
• InChIKey: GQHOWPZAHIPYOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(methylsulfanyl)ethanimidamide hydrochloride
• Synonyms: 2-(methylsulfanyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD09607964
• PubChem SID: 164295166
• PubChem CID: 20157976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7622397
• LogD (pH = 7.4): -2.7541118
• Log P: -0.3468855
• Molar Refractivity: 39.5402 cm^3
• Polarizability: 11.183605 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.68

Product Information

• Purity: 95%