52730-34-4
(1-BENZYL-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-ACETIC ACID
Name
(1-BENZYL-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-ACETIC ACID
Formula
C12 H12 N2 O3 S
MolWeight
264.304
1Identification
【Name】
(1-BENZYL-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD01460051
【English Synonyms】
【Formula】
C12 H12 N2 O3 S
【MolWeight】
264.304
【Inchi】
InChI=1S/C12H12N2O3S/c15-10(16)6-9-11(17)14(12(18)13-9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)
【InChIKey】
InChIKey=AMROWGDRHJNHAR-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2C(=O)C(NC2=S)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-BENZYL-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-ACETIC ACID.cml
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