Basic information
- CAS
65469-04-7- Standard SMILES
O=C(O)C1CSC(CCc2ccccc2)N1- InChIKey
OFMACPNNROAUSV-UHFFFAOYSA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.08234989
Names & identifiers
- Preferred name
- 2-(2-Phenylethyl)-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
Names & synonyms
2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid65469-04-72-phenethyl-1,3-thiazolane-4-carboxylic acidMFCD01622693SMR000037212MLS000027639CHEMBL1415165HMS2185I12QCA46904STK051718AKOS000573175AKOS016340092
Show more names
2-phenethylthiazolidine-4-carboxylic acidCS-0224799ST505732287P-038EN300-121014G219682-(2-phenylethyl)thiazolidine-4-carboxylic acid2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylicacid
Database identifiers
- CAS
65469-04-7- PubChem CID
- 666161
- ChEMBL
CHEMBL1415165- EC Number
- 186-750-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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