338752-87-7
5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHOXYPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
Name5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHOXYPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
1Identification
【Name】
5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHOXYPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
【CAS】
【MDL】
MFCD00151416
【English Synonyms】
【Formula】
C13 H16 N2 O3 S
【MolWeight】
280.346
【Inchi】
InChI=1S/C13H16N2O3S/c1-14(2)8-12-13(16)15(9-19(12)17)10-4-6-11(18-3)7-5-10/h4-8H,9H2,1-3H3/b12-8+
【InChIKey】
InChIKey=BIRFUJYKDDMUHP-XYOKQWHBSA-N
【SMILES】
CN(C)/C=C/1\C(=O)N(CS1=O)c2ccc(cc2)OC
【MOL File】
5-[(DIMETHYLAMINO)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHOXYPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE.cml