129303-30-6
ISOTHIAZOLO(3,4-B)QUINOXALINE, 1,3,3A,4,9,9A-HEXAHYDRO-1-(PHENYLMETHYL)-, 2,2-DIOXIDE
NameISOTHIAZOLO(3,4-B)QUINOXALINE, 1,3,3A,4,9,9A-HEXAHYDRO-1-(PHENYLMETHYL)-, 2,2-DIOXIDE
1Identification
【Name】
ISOTHIAZOLO(3,4-B)QUINOXALINE, 1,3,3A,4,9,9A-HEXAHYDRO-1-(PHENYLMETHYL)-, 2,2-DIOXIDE
【CAS】
【MDL】
MFCD01716925
【English Synonyms】
【Formula】
C16 H17 N3 O2 S
【MolWeight】
315.395
【Inchi】
InChI=1S/C16H17N3O2S/c20-22(21)11-15-16(18-14-9-5-4-8-13(14)17-15)19(22)10-12-6-2-1-3-7-12/h1-9,15-18H,10-11H2
【InChIKey】
InChIKey=NHKBGLRGUGDKOG-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2C3C(CS2(=O)=O)Nc4ccccc4N3
【MOL File】
ISOTHIAZOLO(3,4-B)QU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOTHIAZOLO(3,4-B)QUINOXALINE, 1,3,3A,4,9,9A-HEXAHYDRO-1-(PHENYLMETHYL)-, 2,2-DIOXIDE.cml