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100005-23-0,MFCD02609524
Catalog No.:AA000075
3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-5-methyl- | 100005-23-0
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1g
95%
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$216.00
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5g
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$672.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000075
Chemical Name:
3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-5-methyl-
CAS Number:
100005-23-0
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
MDL Number:
MFCD02609524
IUPAC Name:
2-amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile
InChI:
InChI=1S/C13H12N2OS/c1-8-12(11(7-14)13(15)17-8)9-3-5-10(16-2)6-4-9/h3-6H,15H2,1-2H3
InChI Key:
DOBQZXVLOBZACE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C)sc(c1C#N)N
Properties
Computed Properties
 
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
2-amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile 
100005-23-0 
BBL016736 
MFCD02609524 
SBB003191 
STK432014 
AKOS003274855 
MCULE-2091422709 
AJ-08591 
ST049165 
TR-052189 
W-9472 
AC1LDQB0 
3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-5-methyl- 
C13H12N2OS 
DOBQZXVLOBZACE-UHFFFAOYSA-N 
CID672399 
ZINC00034152 
CTK3J8374 
ZINC34152 
DTXSID30350060 
ALBB-001989 
ZX-AN001971 
ZX-CM001062 
7050AC 
Literature
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