866547-85-5
1-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-1-HEXANONE
Name1-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-1-HEXANONE
1Identification
【Name】
1-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-1-HEXANONE
【CAS】
【MDL】
MFCD17018338
【English Synonyms】
【Formula】
C12 H16 O3 S
【MolWeight】
240.321
【Inchi】
InChI=1S/C12H16O3S/c1-2-3-4-5-9(13)12-11-10(8-16-12)14-6-7-15-11/h8H,2-7H2,1H3
【InChIKey】
InChIKey=HYYPPGXABVGBSN-UHFFFAOYSA-N
【SMILES】
CCCCCC(=O)c1c2c(cs1)OCCO2
【MOL File】
1-(2,3-DIHYDROTHIENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-1-HEXANONE.cml