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2,3-Dimercapto-1-propanol

CAT: 0024-sc-256286ASize: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-256286ASize:25 mL
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CAS Number
59-52-9

Chemical Information

Dimercaprol

Dimercaprol is a dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury. It has a role as a chelator. It is a primary alcohol and a dithiol.

CAS Number59-52-9
PubChem CID3080
IUPAC Name2,3-bis(sulfanyl)propan-1-ol
Molecular FormulaC3H8OS2
Molecular Weight124.23
XLogP0.2
Topological Polar Surface Area22.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity32
SMILES
C(C(CS)S)O
InChI
InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
WQABCVAJNWAXTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimercaprol
CAS: 59-52-9
CID: 3080
Formula: C3H8OS2
MW: 124.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.23
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass124.00165722
Monoisotopic Mass124.00165722
Topological Polar Surface Area22.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity32
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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