Methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
Basic information
- CAS
470691-50-0- Standard SMILES
COC(=O)c1ccc(NC2SC(=O)NC2=O)cc1- InChIKey
ORKJQPIUBQIRGY-UHFFFAOYSA-N- Molecular formula
- C11H10N2O4S
- Average molar mass
- 266.28 g/mol
- Monoisotopic mass
- 266.03612798
Names & identifiers
- Preferred name
- Methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
- IUPAC
- methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
Names & synonyms
methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate470691-50-0F0486-1444Oprea1_229933Oprea1_532649IFLab1_001829HMS1417D03SMSSF-0056498AKOS000633331AG-690/12137057SR-01000502215SR-01000502215-1
Show more names
methyl 4-((2,4-dioxothiazolidin-5-yl)amino)benzoatemethyl p-(2,4-dioxo-1,3-thiazolidin-5-ylamino)benzoate
Database identifiers
- CAS
470691-50-0- PubChem CID
- 2863741
- EC Number
- 140-733-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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