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128-04-1 molecular structure
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N,N-dimethyl(sodiosulfanyl)carbothioamide

ChemBase ID: 92477
Molecular Formular: C3H6NNaS2
Molecular Mass: 143.20621
Monoisotopic Mass: 142.98393548
SMILES and InChIs

SMILES:
S([Na])C(=S)N(C)C
Canonical SMILES:
[Na]SC(=S)N(C)C
InChI:
InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKey:
VMSRVIHUFHQIAL-UHFFFAOYSA-M

Cite this record

CBID:92477 http://www.chembase.cn/molecule-92477.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl(sodiosulfanyl)carbothioamide
IUPAC Traditional name
N,N-dimethylsodiosulfanylcarbothioamide
Synonyms
Sodium N,N-dimethyldithiocarbamate 95%
Dimethyldithiocarbamic acid sodium salt
Sodium dimethyldithiocarbamate solution
二甲基二硫代氨基甲酸 钠盐
二甲基二硫代氨基甲酸钠 溶液
CAS Number
128-04-1
MDL Number
MFCD00044839
Beilstein Number
3569024
PubChem SID
162079175
24886213
PubChem CID
560256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 560256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2574  LogD (pH = 7.4) -0.2574 
Log P -0.2574  Molar Refractivity 34.6204 cm3
Polarizability 15.547757 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319-H400 expand Show data source
GHS Precautionary statements
P273-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Concentration
~40% in H2O expand Show data source
Linear Formula
(CH3)2NCSSNa expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 71513 external link
Packaging
1 L in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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