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

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

CAS No.:
438613-84-4
Catalog Number:
AG0072W9
Molecular Formula:
C13H12N2S
Molecular Weight:
228.3128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG0072W9
Chemical Name:
2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
CAS Number:
438613-84-4
Molecular Formula:
C13H12N2S
Molecular Weight:
228.3128
MDL Number:
MFCD02609653
IUPAC Name:
2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C13H12N2S/c1-8-3-5-10(6-4-8)12-9(2)16-13(15)11(12)7-14/h3-6H,15H2,1-2H3
InChI Key:
RHICPTFVQDHWOQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc(c1c1ccc(cc1)C)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.313g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties