945388-28-3
4H-1,2,4-BENZOTHIADIAZINE-7-CARBOXYLIC ACID, METHYL ESTER, 1,1-DIOXIDE
Name4H-1,2,4-BENZOTHIADIAZINE-7-CARBOXYLIC ACID, METHYL ESTER, 1,1-DIOXIDE
1Identification
【Name】
4H-1,2,4-BENZOTHIADIAZINE-7-CARBOXYLIC ACID, METHYL ESTER, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD13192067
【English Synonyms】
【Formula】
C9 H8 N2 O4 S
【MolWeight】
240.238
【Inchi】
InChI=1S/C9H8N2O4S/c1-15-9(12)6-2-3-7-8(4-6)16(13,14)11-5-10-7/h2-5H,1H3,(H,10,11)
【InChIKey】
InChIKey=RHSDGNSDBHTMLA-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc2c(c1)S(=O)(=O)N=CN2
【MOL File】
4H-1,2,4-BENZOTHIADI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H-1,2,4-BENZOTHIADIAZINE-7-CARBOXYLIC ACID, METHYL ESTER, 1,1-DIOXIDE.cml