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Disulfiram 1g

CAT: 0628-A10320-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A10320-1000Size:1000 mg
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CAS Number
97-77-8

Chemical Information

Disulfiram

Disulfiram is an organic disulfide that results from the formal oxidative dimerisation of N,N-diethyldithiocarbamic acid. A multi-enzyme inhibitor that is used in alcohol aversion therapy and also exhibits anticancer properties. It has a role as a ferroptosis inducer, a fungicide, an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor, an antineoplastic agent, an EC 3.1.1.8 (cholinesterase) inhibitor, an angiogenesis inhibitor, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an apoptosis inducer, a NF-kappaB inhibitor and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is an organic disulfide and an organosulfur acaricide.

CAS Number97-77-8
PubChem CID3117
IUPAC Namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Molecular FormulaC10H20N2S4
Molecular Weight296.5
XLogP3.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity201
SMILES
CCN(CC)C(=S)SSC(=S)N(CC)CC
InChI
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKey
AUZONCFQVSMFAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disulfiram
CAS: 97-77-8
CID: 3117
Formula: C10H20N2S4
MW: 296.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass296.05093334
Monoisotopic Mass296.05093334
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity201
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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