Home Amines 86604-40-2
86604-40-2,MFCD02854973
Catalog No.:AA004KZG
86604-40-2 | 2-Amino-4-(4-methoxyphenyl)-3-thiophenecarbonitrile
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1g
98%
in stock  
$359.00   $252.00
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5g
98%
in stock  
$1,083.00   $758.00
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10g
98%
in stock  
$1,615.00   $1,130.00
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25g
98%
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$2,568.00  Inquire $1,798.00
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA004KZG
Chemical Name:
2-Amino-4-(4-methoxyphenyl)-3-thiophenecarbonitrile
CAS Number:
86604-40-2
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD02854973
IUPAC Name:
2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5,7H,14H2,1H3
InChI Key:
QNIPKTMXJFZLMN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(c1C#N)N
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
86604-40-2 
2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile 
ZX-BK002800 
BBL021926 
KM4575 
MFCD02854973 
STK894643 
AKOS004115403 
MCULE-9308043663 
NCGC00338806-01 
BB 0249801 
2-amino-4-(4-methoxyphenyl)-3-thienyl cyanide 
2-AMINO-4-(4-METHOXYPHENYL)-3-THIOPHENECARBONITRILE 
AB01331217-02 
2-Amino-4-(4-methoxy-phenyl)-thiophene-3-c arbonitrile 
3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)- 
CHEMBL3443662 
SCHEMBL15629589 
CTK3C6958 
DTXSID50588444 
ACT-0001 
ZINC5670691 
Literature
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