Basic information
- CAS
83690-82-8- Standard SMILES
CC(c1ccccc1)C1NC(C(=O)O)CS1- InChIKey
XTLKRSWKWLNJDS-UHFFFAOYSA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.08234989
Names & identifiers
- Preferred name
- 2-(1-Phenyl-ethyl)-thiazolidine-4-carboxylic acid
- IUPAC
- 2-(1-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
- English name
- 2-(1-Phenyl-ethyl)-thiazolidine-4-carboxylic acid
- Molecular formula
- C12H15NO2S
- Molecular weight
- 237.32
Names & synonyms
83690-82-82-(1-Phenyl-ethyl)-thiazolidine-4-carboxylic acid2-(1-phenylethyl)thiazolidine-4-carboxylic acid2-(1-phenylethyl)-1,3-thiazolidine-4-carboxylic acid2-(phenylethyl)-1,3-thiazolidine-4-carboxylic acidSMR000012239TimTec1_0024054-Thiazolidinecarboxylicacid, 2-(1-phenylethyl)-MLS000077180CHEMBL1701433DTXSID40349622HMS1540N07
Show more names
TIMTEC-BB SBB0007552-(1-phenylethyl)-4-thiazolidinecarboxylic acid2-(1-phenylethyl)thiazolidin-3-ium-4-carboxylate2-(1-phenylethyl)-4-thiazolidin-3-iumcarboxylate4-Thiazolidinecarboxylic acid, 2-(1-phenylethyl)-2-(1-phenylethyl)-1,3-thiazolidin-3-ium-4-carboxylate
HMS2156O15HMS3322L20SBB000755STL356314AKOS000300298AKOS017258635ST031051CS-0330964
Database identifiers
- CAS
83690-82-8
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 422.6 · 422.6±45.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 2.04 · 2.04±0.40(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers6 total
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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