436091-57-5
2-[([2-(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO]ACETIC ACID
Name2-[([2-(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO]ACETIC ACID
1Identification
【Name】
2-[([2-(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO]ACETIC ACID
【CAS】
【MDL】
MFCD00096559
【English Synonyms】
【Formula】
C8 H10 N2 O4 S
【MolWeight】
230.243
【Inchi】
InChI=1S/C8H10N2O4S/c1-5-2-6(10-14-5)9-7(11)3-15-4-8(12)13/h2H,3-4H2,1H3,(H,12,13)(H,9,10,11)
【InChIKey】
InChIKey=NCHMGTZBZZBPEW-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)NC(=O)CSCC(=O)O
【MOL File】
2-[([2-(5-METHYLISOX….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
2-[([2-(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL)THIO]ACETIC ACID.cml