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Ditiocarb

CAT: 0931-T73904-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73904-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147-84-2
Target
HIV Protease, Others
Related Pathways
Others, Proteases/Proteasome, Microbiology/Virology
Bioactivity
Ditiocarb (Diethyldithiocarbamic acid) serves as an accelerator in copper cementation processes. Additionally, it reduces the incidence of HIV infection and enhances adjuvant immunoresearch in high-risk breast cancer cases [1] [2] [3].
Smiles
CCN(CC)C(S)=S
Molecular Formula
C5H11NS2
Molecular Weight
149.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diethyldithiocarbamic Acid

Diethyldithiocarbamic acid is a member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur. It has a role as a copper chelator and a chelator. It is a conjugate acid of a diethyldithiocarbamate.

CAS Number147-84-2
PubChem CID8987
IUPAC Namediethylcarbamodithioic acid
Molecular FormulaC5H11NS2
Molecular Weight149.3
XLogP1.6
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
CCN(CC)C(=S)S
InChI
InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
LMBWSYZSUOEYSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyldithiocarbamic Acid
CAS: 147-84-2
CID: 8987
Formula: C5H11NS2
MW: 149.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.3
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass149.03329170
Monoisotopic Mass149.03329170
Topological Polar Surface Area36.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.5
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