743457-06-9
2-((5-[(3,5-DIMETHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)PROPANOIC ACID
Name2-((5-[(3,5-DIMETHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)PROPANOIC ACID
1Identification
【Name】
2-((5-[(3,5-DIMETHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)PROPANOIC ACID
【CAS】
【MDL】
MFCD05264093
【English Synonyms】
【Formula】
C13 H15 N3 O2 S2
【MolWeight】
309.413
【Inchi】
InChI=1S/C13H15N3O2S2/c1-7-4-8(2)6-10(5-7)14-12-15-16-13(20-12)19-9(3)11(17)18/h4-6,9H,1-3H3,(H,14,15)(H,17,18)
【InChIKey】
InChIKey=PLLZVLJAYWWDSC-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)Nc2nnc(s2)SC(C)C(=O)O)C
【MOL File】
2-((5-[(3,5-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((5-[(3,5-DIMETHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL)THIO)PROPANOIC ACID.cml