3-(methylsulfanyl)propanimidamide

• ChemBase ID: 309541
• Molecular Formular: C4H10N2S
• Molecular Mass: 118.2006
• Monoisotopic Mass: 118.05646933
• SMILES: C(=N)(CCSC)N
• Canonical SMILES: CSCCC(=N)N
• InChI: InChI=1S/C4H10N2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
• InChIKey: OXGHHAMQUZOZJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylsulfanyl)propanimidamide
• IUPAC Traditional name: 3-(methylsulfanyl)propanimidamide
• Synonyms: 3-(methylthio)propanimidamide

Database IDs

• MDL Number: MFCD12779607

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