53971-22-5
2H-1,2,4-BENZOTHIADIAZINE-3-ACETIC ACID ETHYL ESTER 1,1-DIOXIDE
Name2H-1,2,4-BENZOTHIADIAZINE-3-ACETIC ACID ETHYL ESTER 1,1-DIOXIDE
1Identification
【Name】
2H-1,2,4-BENZOTHIADIAZINE-3-ACETIC ACID ETHYL ESTER 1,1-DIOXIDE
【CAS】
【MDL】
MFCD01558595
【English Synonyms】
【Formula】
C11 H12 N2 O4 S
【MolWeight】
268.292
【Inchi】
InChI=1S/C11H12N2O4S/c1-2-17-11(14)7-10-12-8-5-3-4-6-9(8)18(15,16)13-10/h3-6H,2,7H2,1H3,(H,12,13)
【InChIKey】
InChIKey=SEHQSTFDJKDJQL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CC1=Nc2ccccc2S(=O)(=O)N1
【MOL File】
2H-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
2H-1,2,4-BENZOTHIADIAZINE-3-ACETIC ACID ETHYL ESTER 1,1-DIOXIDE.cml