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Home Nitriles 2-Amino-4-(3,4-dimethoxyphenyl)thiophene-3-carbonitrile

2-Amino-4-(3,4-dimethoxyphenyl)thiophene-3-carbonitrile

CAS No.:
884497-31-8
Catalog Number:
AG008CN3
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG008CN3
Chemical Name:
2-Amino-4-(3,4-dimethoxyphenyl)thiophene-3-carbonitrile
CAS Number:
884497-31-8
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
MDL Number:
MFCD02854974
IUPAC Name:
2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C13H12N2O2S/c1-16-11-4-3-8(5-12(11)17-2)10-7-18-13(15)9(10)6-14/h3-5,7H,15H2,1-2H3
InChI Key:
QEDSBOVKPQYQKK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1csc(c1C#N)N
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties