896140-29-7
4,6-DIMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Name
4,6-DIMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Formula
C12H12O2S
MolWeight
220.291
1Identification
【Name】
4,6-DIMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD13180829
【English Synonyms】
【Formula】
C12H12O2S
【MolWeight】
220.291
【Inchi】
InChI=1S/C12H12O2S/c1-7-4-8(2)9-6-11(12(13)14-3)15-10(9)5-7/h4-6H,1-3H3
【InChIKey】
InChIKey=DXEZIYONFFBYAO-UHFFFAOYSA-N
【SMILES】
COC(=O)C1=CC2=C(S1)C=C(C=C2C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.919
Bulk/Fine:F