188614-02-0
METHYL 4-ETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLATE
NameMETHYL 4-ETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLATE
1Identification
【Name】
METHYL 4-ETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD01569199
【English Synonyms】
【Formula】
C12 H13 N O3 S
【MolWeight】
251.305
【Inchi】
InChI=1S/C12H13NO3S/c1-3-13-9-6-8(12(15)16-2)4-5-10(9)17-7-11(13)14/h4-6H,3,7H2,1-2H3
【InChIKey】
InChIKey=YZEQTRBFWIQGJF-UHFFFAOYSA-N
【SMILES】
CCN1c2cc(ccc2SCC1=O)C(=O)OC
【MOL File】
METHYL 4-ETHYL-3-OXO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-ETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXYLATE.cml