410090-76-5
1-BROMO-6,6-DIMETHYL-3-(METHYLSULFONYL)-6,7-DIHYDROBENZO[C]THIOPHEN-4(5H)-ONE
Name1-BROMO-6,6-DIMETHYL-3-(METHYLSULFONYL)-6,7-DIHYDROBENZO[C]THIOPHEN-4(5H)-ONE
1Identification
【Name】
1-BROMO-6,6-DIMETHYL-3-(METHYLSULFONYL)-6,7-DIHYDROBENZO[C]THIOPHEN-4(5H)-ONE
【CAS】
【MDL】
MFCD00107362
【English Synonyms】
【Formula】
C11 H13 Br O3 S2
【MolWeight】
337.257
【Inchi】
InChI=1S/C11H13BrO3S2/c1-11(2)4-6-8(7(13)5-11)10(16-9(6)12)17(3,14)15/h4-5H2,1-3H3
【InChIKey】
InChIKey=OWYUMCHJYQQOJJ-UHFFFAOYSA-N
【SMILES】
CC1(Cc2c(c(sc2Br)S(=O)(=O)C)C(=O)C1)C
【MOL File】
1-BROMO-6,6-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BROMO-6,6-DIMETHYL-3-(METHYLSULFONYL)-6,7-DIHYDROBENZO[C]THIOPHEN-4(5H)-ONE.cml