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Home Halogens 2-Amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile

2-Amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile

CAS No.:
519016-78-5
Catalog Number:
AG00DD17
Molecular Formula:
C12H8Cl2N2S
Molecular Weight:
283.1763
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00DD17
Chemical Name:
2-Amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile
CAS Number:
519016-78-5
Molecular Formula:
C12H8Cl2N2S
Molecular Weight:
283.1763
MDL Number:
MFCD02244403
IUPAC Name:
2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile
InChI:
InChI=1S/C12H8Cl2N2S/c1-6-11(9(5-15)12(16)17-6)8-3-2-7(13)4-10(8)14/h2-4H,16H2,1H3
InChI Key:
DVRYKVWTRFDYHC-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc(c1c1ccc(cc1Cl)Cl)C
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.979g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.17g/mol
Monoisotopic Mass:
281.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties