108361-80-4
2,4,6-TRIMETHYLISOTHIAZOLO(5,4-B)PYRIDIN-3(2H)-ONE 1,1-DIOXIDE
Name2,4,6-TRIMETHYLISOTHIAZOLO(5,4-B)PYRIDIN-3(2H)-ONE 1,1-DIOXIDE
1Identification
【Name】
2,4,6-TRIMETHYLISOTHIAZOLO(5,4-B)PYRIDIN-3(2H)-ONE 1,1-DIOXIDE
【CAS】
【MDL】
MFCD01716922
【English Synonyms】
【Formula】
C9 H10 N2 O3 S
【MolWeight】
226.255
【Inchi】
InChI=1S/C9H10N2O3S/c1-5-4-6(2)10-8-7(5)9(12)11(3)15(8,13)14/h4H,1-3H3
【InChIKey】
InChIKey=JLEDEIDCSZXLEJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(nc2c1C(=O)N(S2(=O)=O)C)C
【MOL File】
2,4,6-TRIMETHYLISOTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,6-TRIMETHYLISOTHIAZOLO(5,4-B)PYRIDIN-3(2H)-ONE 1,1-DIOXIDE.cml