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Home Nitriles 2-Amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile

2-Amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile

CAS No.:
519016-79-6
Catalog Number:
AG00DD0O
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
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:
AG00DD0O
Chemical Name:
2-Amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
CAS Number:
519016-79-6
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
MDL Number:
MFCD02245113
IUPAC Name:
2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C15H16N2S/c1-3-4-11-5-7-12(8-6-11)14-10(2)18-15(17)13(14)9-16/h5-8H,3-4,17H2,1-2H3
InChI Key:
RBANQTNMICYSAA-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1c(C)sc(c1C#N)N
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties