Oxamide, N,N'-bis(1-carboxyethyl)dithio-
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Basic information
- CAS
54954-61-9- Standard SMILES
CC(NC(=S)C(=S)NC(C)C(=O)O)C(=O)O- InChIKey
HHWMJTSTCLXGFW-IMJSIDKUSA-N- Molecular formula
- C8H12N2O4S2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.02384922
Names & identifiers
- Preferred name
- Oxamide, N,N'-bis(1-carboxyethyl)dithio-
- IUPAC
- 2-[[2-(1-carboxyethylamino)-2-sulfanylideneethanethioyl]amino]propanoic acid
- English name
- N,N'-Bis(1-carboxyethyl)-ethanebisthioamide
- Molecular formula
- C8H12N2O4S2
- Molecular weight
- 264.32
Names & synonyms
54954-61-9OXAMIDE, N,N'-BIS(1-CARBOXYETHYL)DITHIO-RefChem:1093988USAF MK-29BRN 1715004N,N'-Bis(1-carboxyethyl) dithiooxamidePropionic acid, 2,2'-bis(thiocarbonyl)diiminodi-4-04-00-02505 (Beilstein Handbook Reference)DB-326826N,N'-BIS(1-CARBOXYETHYL)-ETHANEBISTHIOAMIDEUSAF MK-2N,N'-Bis(1-carboxyethyl)ethanebisthioamide
Show more names
L-Alanine, N,N'-(1,2-dithioxo-1,2-ethanediyl)bis- (9CI)
Database identifiers
- CAS
54954-61-9- PubChem CID
- 3033103
- Nikkaji
- J64.577J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 469.737 · 469.737±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.143 · 3.143±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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