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Methyl Dimethyldithiocarbamate

CAT: 0572-TRC-M492500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M492500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3735-92-0
Synonyms
Carbamic acid, dimethyldithio-, methyl ester (6CI,7CI,8CI); Carbamodithioic acid, dimethyl-, methyl ester (9CI); Cystogon; Forbiat; Methyl N,N-dimethylcarbamodithioate; Methyl N,N-dimethyldithiocarbamate; Methyl dimethyldithiocarbamate; N,N-Dimethyl-S-methyldithiocarbamate; NSC 40176; S-Methyl N,N-dimethyldithiocarbamate
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (GC)
Smiles
CSC(=S)N(C)C
Molecular Formula
C4 H9 N S2
Molecular Weight
135.25
InChI
InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
Additionnal Information
IUPAC name: methyl N,N-dimethylcarbamodithioate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methyl dimethyldithiocarbamate
CAS Number3735-92-0
PubChem CID19526
IUPAC Namemethyl N,N-dimethylcarbamodithioate
Molecular FormulaC4H9NS2
Molecular Weight135.3
XLogP1.3
Topological Polar Surface Area60.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity70
SMILES
CN(C)C(=S)SC
InChI
InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
InChIKey
NBBZMDUHKWRYSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl dimethyldithiocarbamate
CAS: 3735-92-0
CID: 19526
Formula: C4H9NS2
MW: 135.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass135.01764164
Monoisotopic Mass135.01764164
Topological Polar Surface Area60.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity70.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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