500891-66-7
1-(2,5-DIMETHYL-3-THIENYL)BUTAN-1-ONE
Name1-(2,5-DIMETHYL-3-THIENYL)BUTAN-1-ONE
1Identification
【Name】
1-(2,5-DIMETHYL-3-THIENYL)BUTAN-1-ONE
【CAS】
【MDL】
MFCD08059889
【English Synonyms】
【Formula】
C10 H14 O S
【MolWeight】
182.286
【Inchi】
InChI=1S/C10H14OS/c1-4-5-10(11)9-6-7(2)12-8(9)3/h6H,4-5H2,1-3H3
【InChIKey】
InChIKey=MCYYNHOPHDOATQ-UHFFFAOYSA-N
【SMILES】
CCCC(=O)c1cc(sc1C)C
【MOL File】
1-(2,5-DIMETHYL-3-TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,5-DIMETHYL-3-THIENYL)BUTAN-1-ONE.cml