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2530-10-1,MFCD00009763
Catalog No.:AA003IQC
2530-10-1 | 3-Acetyl-2,5-dimethylthiophene
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1g
1 week  
$172.00   $120.00
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5g
1 week  
$236.00   $165.00
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10g
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$340.00   $238.00
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Technical Information
Catalog Number:
AA003IQC
Chemical Name:
3-Acetyl-2,5-dimethylthiophene
CAS Number:
2530-10-1
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD00009763
IUPAC Name:
1-(2,5-dimethylthiophen-3-yl)ethanone
InChI:
InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChI Key:
PUSJAEJRDNPYKM-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)C(=O)C)C
EC Number:
219-779-5
UNII:
VDV865T91P
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-Acetyl-2,5-dimethylthiophene 
2530-10-1 
BRN 0112095 
UNII-VDV865T91P 
2,5-Dimethylthiophen-3-yl methyl ketone 
Dimethylthienylcetone [French] 
FEMA No. 3527 
VDV865T91P 
1-(2,5-dimethylthiophen-3-yl)ethan-1-one 
PUSJAEJRDNPYKM-UHFFFAOYSA-N 
EINECS 219-779-5 
AC1LATVT 
1-(2,5-dimethylthiophen-3-yl)ethanone 
ACMC-20agy5 
AC1Q1JEN 
BIDD:GT0071 
SCHEMBL248005 
2,5-Dimethyl-3Acetylthiophene 
CTK3J1434 
FEMA 3527 
DTXSID40179946 
2.5-Dimethyl-3-acetyl thiophene 
ZINC1081105 
Ethanone, 1-(2,5-dimethyl-3-thienyl)- 
ANW-72891 
BBL027765 
SBB067095 
STK400196 
AKOS000120606 
CA-1071 
MCULE-5911598699 
RTR-011568 
TRA0019721 
VZ22804 
2,5-Dimethyl-3-thienyl methyl ketone 
1-(2,5-Dimethyl-3-thienyl)-Ethanone 
1-(2,5-dimethyl-3-thiophenyl)ethanone 
3-Acetyl-2,5-dimethylthiophene, 99% 
1-(2,5-Dimethyl-3-thienyl)ethanone # 
AJ-24889 
AK-45167 
AN-21688 
AS-14520 
BR-45167 
CJ-04721 
Dimethylthienylcetone 
L467 
LS-87192 
SY020864 
ZB015864 
3-Acetyl-2,5-dimethylthiophene, >=99% 
1-(2,5-Dimethyl-thiophen-3-yl)-ethanone 
DB-020116 
ST2408511 
TR-011568 
1-(2,5-Dimethyl-3-thienyl)ethanone, 9CI 
2,5-Dimethyl-3-acetylthiophene 
2,5-Dimethyl-3-thienyl methyl ketone, 8CI 
FT-0082157 
ST50307019 
MFCD00009763 (98%) 
M-4622 
5-17-09-00444 (Beilstein Handbook Reference) 
530A101 
A817771 
I09-1884 
I14-1128 
1-(2,5-Dimethyl-3-thienyl)ethanone 
Q-100432 
W-107249 
Z90122410 
Not Available 
C8H10OS 
3-Acetyl-2,5-dichlorothiophene 
CID520191 
MFCD00009763 
3-Acetyl-2,5-dimethylthiophene, 99% - 1G 1g 
Ketone, 2,5-dimethyl-3-thienyl methyl 
3-Acetyl-2,5-dimethyl thiophene 
Literature

Title: Synthesis and anti-bacterial activities of a bis-chalcone derived from thiophene and its bis-cyclized products.

Journal: Molecules (Basel, Switzerland) 20110112

Title: (E)-1-(2,5-Dimethyl-3-thien-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: Microwave assisted synthesis, characterization and biological evaluation of palladium and platinum complexes with azomethines.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100101

Title: (2E,2'E)-1,1'-Bis(2,5-dimethyl-3-thien-yl)-3,3'-(p-phenyl-ene)diprop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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