(methylsulfanyl)methanimidamide

• ChemBase ID: 123417
• Molecular Formular: C2H6N2S
• Molecular Mass: 90.14744
• Monoisotopic Mass: 90.0251692
• SMILES: C(=N)(SC)N
• Canonical SMILES: CSC(=N)N
• InChI: InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
• InChIKey: SDDKIZNHOCEXTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylsulfanyl)methanimidamide
• IUPAC Traditional name: methylsulfanylmethanimidamide
• Synonyms: methyl carbamimidothioate

Database IDs

• PubChem SID: 162217770
• PubChem CID: 5142

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0011563
• LogD (pH = 7.4): -1.9397736
• Log P: 0.4134605
• Molar Refractivity: 34.9793 cm^3
• Polarizability: 9.368552 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true