272437-85-1
2-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLIC ACID
Name2-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLIC ACID
1Identification
【Name】
2-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03001420
【English Synonyms】
【Formula】
C10 H9 N O3 S
【MolWeight】
223.251
【Inchi】
InChI=1S/C10H9NO3S/c1-5-9(12)11-7-4-6(10(13)14)2-3-8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14)
【InChIKey】
InChIKey=QSSXMCACTGDTCK-UHFFFAOYSA-N
【SMILES】
CC1C(=O)Nc2cc(ccc2S1)C(=O)O
【MOL File】
2-METHYL-3-OXO-3,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLIC ACID.cml