(prop-2-en-1-ylsulfanyl)methanimidamide

• ChemBase ID: 278423
• Molecular Formular: C4H8N2S
• Molecular Mass: 116.18472
• Monoisotopic Mass: 116.04081927
• SMILES: C(=N)(SCC=C)N
• Canonical SMILES: NC(=N)SCC=C
• InChI: InChI=1S/C4H8N2S/c1-2-3-7-4(5)6/h2H,1,3H2,(H3,5,6)
• InChIKey: ZXOANPMNJZGRAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-ylsulfanyl)methanimidamide
• IUPAC Traditional name: prop-2-en-1-ylsulfanylmethanimidamide
• Synonyms: (prop-2-en-1-ylsulfanyl)methanimidamide

Database IDs

• MDL Number: MFCD00456179
• PubChem SID: 164334333
• PubChem CID: 75687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3735075
• LogD (pH = 7.4): -1.3002728
• Log P: 1.0409323
• Molar Refractivity: 44.1912 cm^3
• Polarizability: 12.804288 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.85

Product Information

• Purity: 95%