7028-68-4
4-(4-ETHYLTHIOPHENYL)-4-OXOBUTYRIC ACID
Name4-(4-ETHYLTHIOPHENYL)-4-OXOBUTYRIC ACID
1Identification
【Name】
4-(4-ETHYLTHIOPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD06201686
【English Synonyms】
【Formula】
C12 H14 O3 S
【MolWeight】
238.306
【Inchi】
InChI=1S/C12H14O3S/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
【InChIKey】
InChIKey=CWQPKFWGOIESHG-UHFFFAOYSA-N
【SMILES】
CCSc1ccc(cc1)C(=O)CCC(=O)O
【MOL File】
4-(4-ETHYLTHIOPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-ETHYLTHIOPHENYL)-4-OXOBUTYRIC ACID.cml