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Ditiocarb

CAT: 0013-GTR19221559-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221559-02Size:50 mg
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Description
Ditiocarb (Diethyldithiocarbamic acid) is a small molecule with applications spanning from industrial processes like copper cementation to biomedical research. It has been studied in vitro and in vivo for its potential immunomodulatory effects, including research into HIV infection and as an adjuvant in oncology studies.
CAS Number
147-84-2
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
CCN (CC) C (S) =S
Molecular Formula
C5H11NS2
Molecular Weight
149.28
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
HY-126363Ditiocarb
sc-481321BDitiocarb sodium
HY-126363SDitiocarb-d10
HY-B1637R-01Ditiocarb sodium (Standard)
HY-B1637A-01Ditiocarb sodium,98%
HY-B1637S-01Ditiocarb-d10 (sodium)

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