Basic information
- CAS
1528-72-9- Standard SMILES
OCCN(CCO)C(=S)S- InChIKey
PCBLZWZCGNKODY-UHFFFAOYSA-N- Molecular formula
- C5H11NO2S2
- Average molar mass
- 181.3 g/mol
- Monoisotopic mass
- 181.02312094
Overview
mobilizes metallothionein-bound cadmium from tissue; increases biliary excretion of cadmium in rats
Names & identifiers
- Preferred name
- Carbamodithioic acid, N,N-bis(2-hydroxyethyl)-
- IUPAC
- bis(2-hydroxyethyl)carbamodithioic acid
- English name
- dihydroxyethyldithiocarbamate
- Molecular weight
- 181.28
Names & synonyms
Dihydroxyethyldithiocarbamate1528-72-9Sodium diethanolamine dithiocarbamateIP73T3KT1RCarbamodithioic acid, bis(2-hydroxyethyl)-CARBAMODITHIOIC ACID, N,N-BIS(2-HYDROXYETHYL)-RefChem:133993bis(2-hydroxyethyl)carbamodithioic acidNSC527033Diethanolamine dithiocarbamic acidSodium bis(hydroxyethyl)dithiocarbamateN-Di(hydroxyethyl)amine dithiocarbamate
Show more names
UNII-IP73T3KT1RSCHEMBL439651CHEMBL2027858di(hydroxyethyl)dithiocarbamic acidQ27280834
Database identifiers
- CAS
1528-72-9- PubChem CID
- 32064
- ChEMBL
CHEMBL2027858- UNII
- IP73T3KT1R
- Nikkaji
- J264.609I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 321.041 · 321.041±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.134 · 3.134±0.10(predicted)
- FDA UNII
- 73 T3KT1R · IP73T3KT1R
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents counteracting or neutralizing the action of POISONS.
Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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