55315-45-2
2-(P-METHOXYPHENYL)-4-(5(1H)-TETRAZOLYLMETHYL)THIAZOLE
Name2-(P-METHOXYPHENYL)-4-(5(1H)-TETRAZOLYLMETHYL)THIAZOLE
1Identification
【Name】
2-(P-METHOXYPHENYL)-4-(5(1H)-TETRAZOLYLMETHYL)THIAZOLE
【CAS】
【MDL】
MFCD01681419
【English Synonyms】
【Formula】
C12 H11 N5 O S
【MolWeight】
273.319
【Inchi】
InChI=1S/C12H11N5OS/c1-18-10-4-2-8(3-5-10)12-13-9(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17)
【InChIKey】
InChIKey=DEQSTBYMHOPLAB-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2nc(cs2)Cc3[nH]nnn3
【MOL File】
2-(P-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(P-METHOXYPHENYL)-4-(5(1H)-TETRAZOLYLMETHYL)THIAZOLE.cml