3-(methylsulfanyl)propanimidamide hydrochloride

• ChemBase ID: 55770
• Molecular Formular: C4H11ClN2S
• Molecular Mass: 154.66154
• Monoisotopic Mass: 154.03314704
• SMILES: C(=N)(CCSC)N.Cl
• Canonical SMILES: CSCCC(=N)N.Cl
• InChI: InChI=1S/C4H10N2S.ClH/c1-7-3-2-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
• InChIKey: CUEZLAJPRBTTHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylsulfanyl)propanimidamide hydrochloride
• IUPAC Traditional name: 3-(methylsulfanyl)propanimidamide hydrochloride
• Synonyms: 3-(Methylthio)propanimidamide hydrochloride; 3-(methylsulfanyl)propanimidamide hydrochloride

Database IDs

• MDL Number: MFCD18380688
• PubChem SID: 162060533
• PubChem CID: 20406047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3177679
• LogD (pH = 7.4): -2.3171585
• Log P: 0.09768315
• Molar Refractivity: 44.1412 cm^3
• Polarizability: 13.020523 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.325

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%