Basic information
- CAS
81018-65-7- Standard SMILES
O=C(O)C(=O)NCCS- InChIKey
DHQAQMGPBAZZSQ-UHFFFAOYSA-N- Molecular formula
- C4H7NO3S
- Average molar mass
- 149.17 g/mol
- Monoisotopic mass
- 149.01466408
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Oxalylcysteamine
- IUPAC
- 2-oxo-2-(2-sulfanylethylamino)acetic acid
- English name
- N-oxalylcysteamine
- Molecular formula
- C4H7NO3S
- Molecular weight
- 149.17
Names & synonyms
N-Oxalylcysteamine81018-65-7RefChem:164072oxo[(2-sulfanylethyl)amino]acetic acid2-oxo-2-(2-sulfanylethylamino)acetic acidDTXSID001001712Acetic acid, ((2-mercaptoethyl)amino)oxo-Acetic acid, 2-[(2-mercaptoethyl)amino]-2-oxo-
Database identifiers
- CAS
81018-65-7- PubChem CID
- 133589
- DTXSID
DTXSID001001712
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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