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Disulfiram-d20

CAT: 0804-HY-W127834Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W127834Size:1 mg
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Description
Disulfiram-d20 is deuterium labeled Disulfiram-d20.
CAS Number
1216403-88-1
UNSPSC
12352211
Hazard Statement
H302, H317, H373
Target
Isotope-Labeled Compounds
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Purity
99.7
Solubility
10 mM in DMSO
Smiles
C([2H])([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])C(=S)SSC(=S)N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C10D20N2S4
Molecular Weight
316.66
Precautions
H302, H317, H373
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

bis(1,1,2,2,2-pentadeuterioethyl)carbamothioylsulfanyl N,N-bis(1,1,2,2,2-pentadeuterioethyl)carbamodithioate

See also: Disulfiram (annotation moved to).

CAS Number1216403-88-1
PubChem CID46781408
IUPAC Namebis(1,1,2,2,2-pentadeuterioethyl)carbamothioylsulfanyl N,N-bis(1,1,2,2,2-pentadeuterioethyl)carbamodithioate
Molecular FormulaC10H20N2S4
Molecular Weight316.7
XLogP3.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity201
SMILES
[2H]C([2H])([2H])C([2H])([2H])N(C(=S)SSC(=S)N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2
InChIKey
AUZONCFQVSMFAP-DEHFLJNXSA-N
Chemical Structure
2D Structure
2D structure of bis(1,1,2,2,2-pentadeuterioethyl)carbamothioylsulfanyl N,N-bis(1,1,2,2,2-pentadeuterioethyl)carbamodithioate
CAS: 1216403-88-1
CID: 46781408
Formula: C10H20N2S4
MW: 316.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.7
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass316.17646826
Monoisotopic Mass316.17646826
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity201
Isotope Atom Count20
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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