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36157-40-1,MFCD00014522
Catalog No.:AA003IQA
36157-40-1 | 3-Acetyl-2,5-dichlorothiophene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$29.00   $20.00
- +
100g
98%
in stock  
$108.00   $75.00
- +
500g
98%
in stock  
$508.00   $356.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IQA
Chemical Name:
3-Acetyl-2,5-dichlorothiophene
CAS Number:
36157-40-1
Molecular Formula:
C6H4Cl2OS
Molecular Weight:
195.0664
MDL Number:
MFCD00014522
IUPAC Name:
1-(2,5-dichlorothiophen-3-yl)ethanone
InChI:
InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChI Key:
GYFDNIRENHZKGR-UHFFFAOYSA-N
SMILES:
Clc1sc(c(c1)C(=O)C)Cl
EC Number:
252-893-3
Properties
Computed Properties
 
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.936g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.057g/mol
Monoisotopic Mass:
193.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3-Acetyl-2,5-dichlorothiophene 
36157-40-1 
GYFDNIRENHZKGR-UHFFFAOYSA-N 
1-(2,5-dichlorothien-3-yl)ethan-1-one 
EINECS 252-893-3 
zlchem 481 
PubChem5517 
ACMC-1CSWW 
AC1L3NUZ 
AC1Q1JFQ 
AC1Q3Q1K 
BIDD:GT0097 
1-(2,5-dichlorothiophen-3-yl)ethanone 
SCHEMBL542159 
Jsp006455 
CTK4H6008 
GYFDNIRENHZKGR-UHFFFAOYSA- 
3-acetyl-2,5-dichloro thiophene 
DTXSID60189724 
ZLC0346 
ZINC154523 
KS-000004YR 
ANW-28366 
1-(2,5-Dichloro-3-thienyl)ethan-1-one 
SBB066369 
STK427054 
AKOS000276629 
AC-6966 
AN-9521 
MCULE-8137987763 
RP25352 
TRA0091103 
3-Acetyl-2,5-dichlorothiophene, 98% 
1-(2,5-Dichloro-3-thienyl)ethanone # 
1-(2,5-dichlorothiophen-3-yl)ethan-1-one 
Ethanone,1-(2,5-dichloro-3-thienyl)- 
AJ-13284 
I271 
SC-03830 
SY034796 
ZB005805 
1-(2,5-dichloro-3-thienyl)-1-ethanone 
AB0013587 
DB-048925 
ST2414927 
1-(2,5-Dichloro-3-thienyl)ethanone 
TL8006902 
TR-014862 
A1182 
A6273 
FT-0614876 
ST50307009 
MFCD00014522 (97%) 
7M-751 
Q-7097 
157A401 
MFCD00014522 
I09-0208 
Z89265801 
F0001-2738 
InChI=1/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3 
C6H4Cl2OS 
C6-H4-Cl2-O-S 
KST-1B3710 
AR-1B0254 
CID118920 
ZINC00154523 
2,5-Dichloro-3-thienyl methyl ketone 
ACN-031795 
3-Acetyl-2,5-dichlorothiophene, 98% 5g 
3-Acetyl-2,5-dichlorothiophene, 98% - 1G 1g 
37486-69-4 
301-10-0 
Ethanone, 1-(2,5-dichloro-3-thienyl)- 
1-(2,5-Dichloro-thiophen-3-yl)-ethanone 
Literature

Title: (E)-1-(2,5-Dichloro-thio-phen-3-yl)ethan-one [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: (E)-1-(2,5-Dichloro-3-thien-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: 1-(2,5-Dichloro-3-thien-yl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: (Z)-1-(2,5-Dichloro-3-thien-yl)ethanone semicarbazone.

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

Title: Synthesis and antimicrobial evaluation of new chalcones containing piperazine or 2,5-dichlorothiophene moiety.

Journal: Bioorganic & medicinal chemistry letters 20071001

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

Journal: Chemical research in toxicology 20050601

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