N,N'-disulfanylmethanimidamide dihydrochloride

• ChemBase ID: 112508
• Molecular Formular: CH6Cl2N2S2
• Molecular Mass: 181.10774
• Monoisotopic Mass: 179.93494556
• SMILES: Cl.Cl.SN/C=N/S
• Canonical SMILES: SN/C=N/S.Cl.Cl
• InChI: InChI=1S/CH4N2S2.2ClH/c4-2-1-3-5;;/h1,4-5H,(H,2,3);2*1H
• InChIKey: RFFTYMXGLJUSBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-disulfanylmethanimidamide dihydrochloride
• IUPAC Traditional name: N,N'-disulfanylmethanimidamide dihydrochloride
• Synonyms: DIMERCAPTO FORMAMIDINE DI HCl

Database IDs

• PubChem SID: 162106692
• PubChem CID: 71300213

CALCULATED PROPERTIES

• Acid pKa: 10.170355
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.5402304
• LogD (pH = 7.4): 0.5397549
• Log P: 0.54047304
• Molar Refractivity: 34.159 cm^3
• Polarizability: 10.606928 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224468

MP Biomedicals Rare Chemical collection