338753-26-7
5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
Name5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
1Identification
【Name】
5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
【CAS】
【MDL】
MFCD00151420
【English Synonyms】
【Formula】
C13 H16 N2 O2 S
【MolWeight】
264.347
【Inchi】
InChI=1S/C13H16N2O2S/c1-10-4-6-11(7-5-10)15-9-18(17)12(13(15)16)8-14(2)3/h4-8H,9H2,1-3H3/b12-8+
【InChIKey】
InChIKey=VCVXINGRDDJCKI-XYOKQWHBSA-N
【SMILES】
Cc1ccc(cc1)N2CS(=O)/C(=C/N(C)C)/C2=O
【MOL File】
5-[(DIMETHYLAMINO)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE.cml