364757-81-3
3-METHANESULFONYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZO[C]THIOPHENE-1-CARBOXYLIC ACID ETHYL ESTER
Name3-METHANESULFONYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZO[C]THIOPHENE-1-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-METHANESULFONYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZO[C]THIOPHENE-1-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD00107670
【English Synonyms】
【Formula】
C12 H14 O5 S2
【MolWeight】
302.37
【Inchi】
InChI=1S/C12H14O5S2/c1-3-17-11(14)10-7-5-4-6-8(13)9(7)12(18-10)19(2,15)16/h3-6H2,1-2H3
【InChIKey】
InChIKey=KANCELDMRAXUQA-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(c(s1)S(=O)(=O)C)C(=O)CCC2
【MOL File】
3-METHANESULFONYL-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHANESULFONYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZO[C]THIOPHENE-1-CARBOXYLIC ACID ETHYL ESTER.cml