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137-30-4 molecular structure
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zinc(2+) ion bis((dimethylcarbamothioyl)sulfanide)

ChemBase ID: 109266
Molecular Formular: C6H12N2S4Zn
Molecular Mass: 305.81288
Monoisotopic Mass: 303.91747439
SMILES and InChIs

SMILES:
[Zn+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-]
Canonical SMILES:
CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Zn+2]
InChI:
InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
InChIKey:
DUBNHZYBDBBJHD-UHFFFAOYSA-L

Cite this record

CBID:109266 http://www.chembase.cn/molecule-109266.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion bis((dimethylcarbamothioyl)sulfanide)
IUPAC Traditional name
zinc, ion (zn2+) bis((dimethylcarbamothioyl)sulfanide)
Synonyms
ZINC DIMETHYLDITHIOCARBAMATE
CAS Number
137-30-4
EC Number
205-288-3
PubChem SID
162095003
PubChem CID
8722

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210386 external link Add to cart Please log in.
Data Source Data ID
PubChem 8722 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0140626  H Acceptors
H Donor LogD (pH = 5.5) 0.15268822 
LogD (pH = 7.4) 0.1508859  Log P 1.2938448 
Molar Refractivity 36.2607 cm3 Polarizability 14.217208 Å3
Polar Surface Area 3.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
245°C expand Show data source
Density
1.66-1.68 g/ml expand Show data source
RTECS
ZH0525000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:22-36/37/38-40-58 expand Show data source
Safety Statements
S:36/37-61 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210386 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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