Basic information
- CAS
2047-14-5- Standard SMILES
CCOP(=S)(OCC)SCC(N)=O- InChIKey
YHZHCEYCTFAWOU-UHFFFAOYSA-N- Molecular formula
- C6H14NO3PS2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.01527265
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide
- IUPAC
- 2-diethoxyphosphinothioylsulfanylacetamide
- English name
- Dithiophosphoric acid O,O-diethyl S-(carbamoylmethyl) ester
- Molecular formula
- C6H14NO3PS2
- Molecular weight
- 243.28
Names & synonyms
Acethion amideBRN 1788842AI3-10608Phosphorodithioic acid, S-(2-amino-2-oxoethyl) O,O-diethyl esterbeta-Carbamidocarbomethyl-O,O-diethyldithiophosphateO,O-Diethyl S-(N-carbamoylmethyl) phosphorodithioatePhosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamideDTXSID701744444-03-00-00626 (Beilstein Handbook Reference)RefChem:371097DTXCID50969352047-14-5
Show more names
Danazol Impurity 16dithiophosphoric acid O,O'-diethyl ester-S-carbamoylmethyl ester
Dithiophosphoric acid O,O-diethyl S-(carbamoylmethyl) esterS-(2-amino-2-oxoethyl) O,O-diethyl phosphorodithioate
Database identifiers
- CAS
2047-14-5- PubChem CID
- 200418
- DTXSID
DTXSID70174444
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 57 · 57-58 °C(Solv: carbon tetrachloride (56-23-5))
- Boiling point
- 351.5 · 351.5±44.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 15.08 · 15.08±0.40(Predicted)
- Toxicity
- 10 mg/kg · LDLo orl-rat: 10 mg/kg GISAAA 24,47,59
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo orl-rat: 10 mg/kg GISAAA 24,47,59
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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