851468-03-6
([1-(2,3-DIMETHYLPHENYL)-1H-IMIDAZOL-2-YL]THIO)ACETIC ACID
Name([1-(2,3-DIMETHYLPHENYL)-1H-IMIDAZOL-2-YL]THIO)ACETIC ACID
1Identification
【Name】
([1-(2,3-DIMETHYLPHENYL)-1H-IMIDAZOL-2-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD06382005
【English Synonyms】
【Formula】
C13 H14 N2 O2 S
【MolWeight】
262.332
【Inchi】
InChI=1S/C13H14N2O2S/c1-9-4-3-5-11(10(9)2)15-7-6-14-13(15)18-8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=YDBMGVOTDPAKGU-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1C)n2ccnc2SCC(=O)O
【MOL File】
([1-(2,3-DIMETHYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([1-(2,3-DIMETHYLPHENYL)-1H-IMIDAZOL-2-YL]THIO)ACETIC ACID.cml