Home > Compound List > Compound details
13573-16-5 molecular structure
click picture or here to close

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

ChemBase ID: 303878
Molecular Formular: C4H12CrN7OS4
Molecular Mass: 354.44048
Monoisotopic Mass: 353.93912454
SMILES and InChIs

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

Cite this record

CBID:303878 http://www.chembase.cn/molecule-303878.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
13573-16-5
EC Number
237-003-3
MDL Number
MFCD00066638
Merck Index
148128

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 87777 external link Add to cart
Data Source Data ID Price
Alfa Aesar
87777 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.84597397  LogD (pH = 7.4) 0.84597397 
Log P 0.84597397  Molar Refractivity 14.3753 cm3
Polarizability 6.057175 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in dilute hydrochloric acid. Moderately soluble in water. Soluble in alcohol expand Show data source
Apperance
Powder expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
UN3077 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-32-50/53 expand Show data source
Safety Statements
36/37-57 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H400-H410-H302-H312-H332 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P304+P340-P322-P501A expand Show data source
Purity
93.0% min expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle