129339-42-0
2,2-DIMETHYL-7-METHOXY-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
Name2,2-DIMETHYL-7-METHOXY-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
1Identification
【Name】
2,2-DIMETHYL-7-METHOXY-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
【CAS】
【MDL】
MFCD17212549
【English Synonyms】
【Formula】
C11 H13 N O2 S
【MolWeight】
223.295
【Inchi】
InChI=1S/C11H13NO2S/c1-11(2)10(13)12-8-5-4-7(14-3)6-9(8)15-11/h4-6H,1-3H3,(H,12,13)
【InChIKey】
InChIKey=PIKVKDQWOHLNAV-UHFFFAOYSA-N
【SMILES】
CC1(C(=O)Nc2ccc(cc2S1)OC)C
【MOL File】
2,2-DIMETHYL-7-METHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2-DIMETHYL-7-METHOXY-2H-1,4-BENZOTHIAZIN-3(4H)-ONE.cml