(carbamimidoyldisulfanyl)methanimidamide

• ChemBase ID: 102422
• Molecular Formular: C2H6N4S2
• Molecular Mass: 150.22584
• Monoisotopic Mass: 150.00338821
• SMILES: NC(=N)SSC(=N)N
• Canonical SMILES: NC(=N)SSC(=N)N
• InChI: InChI=1S/C2H6N4S2/c3-1(4)7-8-2(5)6/h(H3,3,4)(H3,5,6)
• InChIKey: GJLUFTKZCBBYMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (carbamimidoyldisulfanyl)methanimidamide
• IUPAC Traditional name: carbamimidoyldisulfanylmethanimidamide
• Synonyms: Formamidine disulfide dihydrochloride; 1,1-DITHIOFORMAMIDINE

Database IDs

• CAS Number: 14807-75-1
• EC Number: 238-876-3
• PubChem SID: 162089792
• PubChem CID: 26923

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.537805
• LogD (pH = 7.4): -2.753494
• Log P: 0.19774003
• Molar Refractivity: 58.8604 cm^3
• Polarizability: 14.39183 Å^3
• Polar Surface Area: 99.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 02101615

Dihydrochloride
Potent transamidinase inhibitor.