757220-90-9
((1-METHYL-2-[(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO)ACETIC ACID
Name((1-METHYL-2-[(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO)ACETIC ACID
1Identification
【Name】
((1-METHYL-2-[(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO)ACETIC ACID
【CAS】
【MDL】
MFCD06342768
【English Synonyms】
【Formula】
C9 H12 N2 O4 S
【MolWeight】
244.27
【Inchi】
InChI=1S/C9H12N2O4S/c1-5-3-7(11-15-5)10-9(14)6(2)16-4-8(12)13/h3,6H,4H2,1-2H3,(H,12,13)(H,10,11,14)
【InChIKey】
InChIKey=ZBEXNNBFUQYXAV-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)NC(=O)C(C)SCC(=O)O
【MOL File】
((1-METHYL-2-[(5-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((1-METHYL-2-[(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO)ACETIC ACID.cml