Basic information
- CAS
21301-10-0- Standard SMILES
O=C(O)CNC(CS)C(=O)O- InChIKey
VUCDIRJQEQYQRN-UHFFFAOYSA-N- Molecular formula
- C5H9NO4S
- Average molar mass
- 179.2 g/mol
- Monoisotopic mass
- 179.02522894
Names & identifiers
- Preferred name
- N-(Carboxymethyl)-DL-cysteine
- IUPAC
- 2-(carboxymethylamino)-3-sulfanylpropanoic acid
- English name
- N-(carboxymethyl)-DL-cysteine
- Molecular formula
- C5H9NO4S
- Molecular weight
- 179.2
Names & synonyms
21301-10-0N-(Carboxymethyl)-DL-cysteine2-(carboxymethylamino)-3-sulfanylpropanoic acidTIOPRONIN IMPURITY 7N-(Carboxymethyl)cysteineSCHEMBL197221DTXSID40943806VUCDIRJQEQYQRN-UHFFFAOYSA-NEINECS 244-324-2G878442-((Carboxymethyl)amino)-3-mercaptopropanoic acidSuberic Acid Impurity 4
Show more names
Carbocisteine Impurity 21Cysteine, N-(carboxymethyl)-N-(Carboxymethyl)-DL-cysteime
Database identifiers
- CAS
21301-10-0- PubChem CID
- 89481
- DTXSID
DTXSID40943806- EC Number
- 244-324-2
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 381.8 · 381.8±42.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- pka
- 1.82 · 1.82±0.10(Predicted)
Chemistry & industry
Suppliers6 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…