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

• ChemBase ID: 303878
• Molecular Formular: C4H12CrN7OS4
• Molecular Mass: 354.44048
• Monoisotopic Mass: 353.93912454
• SMILES: C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[NH4+].N.N.O.[Cr+3]
• Canonical SMILES: [N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.N.N.[NH4+].O.[Cr+3]
• InChI: InChI=1S/4CNS.Cr.3H3N.H2O/c4*2-1-3;;;;;/h;;;;;3*1H3;1H2/q4*-1;+3;;;;/p+1
• InChIKey: GXUDINOISGOIAV-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion ammonium tetrakis(carbothioylazanide) diamine hydrate
• IUPAC Traditional name: chromium(3+) ion ammonium tetrakis(carbothioylazanide) diamine hydrate
• Synonyms: Reinecke salt; Ammonium reineckate; Ammonium diamminetetrathiocyanatochromate(III) monohydrate, ACS; 二氨合四氰硫基(硫代氰酸基)铬酸铵(III) 一水化物, ACS

Database IDs

• CAS Number: 13573-16-5
• EC Number: 237-003-3
• MDL Number: MFCD00066638
• Merck Index: 148128

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

PROPERTIES

Physical Property

• Solubility: Insoluble in dilute hydrochloric acid. Moderately soluble in water. Soluble in alcohol
• Apperance: Powder

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 20/21/22-32-50/53
• Safety Statements: 36/37-57
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H400-H410-H302-H312-H332
• GHS Precautionary statements: P261-P280-P302+P352-P304+P340-P322-P501A

Product Information

• Purity: 93.0% min