N-methyl(methylsulfanyl)methanimidamide

• ChemBase ID: 278424
• Molecular Formular: C3H8N2S
• Molecular Mass: 104.17402
• Monoisotopic Mass: 104.04081927
• SMILES: C(=N)(NC)SC
• Canonical SMILES: CNC(=N)SC
• InChI: InChI=1S/C3H8N2S/c1-5-3(4)6-2/h1-2H3,(H2,4,5)
• InChIKey: MVEAMNWCFZZFCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl(methylsulfanyl)methanimidamide
• IUPAC Traditional name: N-methylmethylsulfanylmethanimidamide
• Synonyms: N-methyl(methylsulfanyl)methanimidamide

Database IDs

• MDL Number: MFCD09859796
• PubChem SID: 164334334
• PubChem CID: 5204798

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7238575
• LogD (pH = 7.4): -1.6840953
• Log P: 0.6910699
• Molar Refractivity: 39.7539 cm^3
• Polarizability: 11.205693 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.232

Product Information

• Purity: 95%