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Home Halogens 3-Acetyl-2,5-dichlorothiophene

3-Acetyl-2,5-dichlorothiophene

CAS No.:
36157-40-1
Catalog Number:
AG003IT2
Molecular Formula:
C6H4Cl2OS
Molecular Weight:
195.0664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003IT2
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
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  
Literature
Title Journal
(E)-1-(2,5-Dichloro-thio-phen-3-yl)ethan-one [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone. Acta crystallographica. Section E, Structure reports online 20120301
(E)-1-(2,5-Dichloro-3-thien-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20101001
1-(2,5-Dichloro-3-thien-yl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds. Acta crystallographica. Section E, Structure reports online 20101001
(Z)-1-(2,5-Dichloro-3-thien-yl)ethanone semicarbazone. Acta crystallographica. Section E, Structure reports online 20090801
Synthesis and antimicrobial evaluation of new chalcones containing piperazine or 2,5-dichlorothiophene moiety. Bioorganic & medicinal chemistry letters 20071001
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties