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Ditiocarb sodium

CAT: 0024-sc-481321CSize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-481321CSize:100 g
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CAS Number
148-18-5

Chemical Information

Sodium Diethyldithiocarbamate

Sodium diethyldithiocarbamate is an organic molecular entity.

CAS Number148-18-5
PubChem CID533728
IUPAC Namesodium N,N-diethylcarbamodithioate
Molecular FormulaC5H10NNaS2
Molecular Weight171.3
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CCN(CC)C(=S)[S-].[Na+]
InChI
InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKey
IOEJYZSZYUROLN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Diethyldithiocarbamate
CAS: 148-18-5
CID: 533728
Formula: C5H10NNaS2
MW: 171.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass171.01523595
Monoisotopic Mass171.01523595
Topological Polar Surface Area36.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes