chromium(3+) ion ammonium tetrakis(carbothioylazanide) diamine

• ChemBase ID: 106971
• Molecular Formular: C4H10CrN7S4
• Molecular Mass: 336.4252
• Monoisotopic Mass: 335.92855986
• SMILES: N.N.[NH4+].[Cr+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S
• Canonical SMILES: [N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.N.N.[NH4+].[Cr+3]
• InChI: InChI=1S/4CNS.Cr.3H3N/c4*2-1-3;;;;/h;;;;;3*1H3/q4*-1;+3;;;/p+1
• InChIKey: MWPIDCLCFRVBQI-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion ammonium tetrakis(carbothioylazanide) diamine
• IUPAC Traditional name: chromium(3+) ammonium tetrakis(carbothioylazanide) diamine
• Synonyms: AMMONIUM REINECKATE

Database IDs

• CAS Number: 13573-16-5
• PubChem SID: 162094844
• PubChem CID: 159682

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.84597397
• LogD (pH = 7.4): 0.84597397
• Log P: 0.84597397
• Molar Refractivity: 14.3753 cm^3
• Polarizability: 6.057175 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202091

MP Biomedicals Rare Chemical collection