Home Amines 102123-28-4
102123-28-4,MFCD00052590
Catalog No.:AA0006LJ
102123-28-4 | Methyl 3-amino-4-cyanothiophene-2-carboxylate
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1g
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2 weeks  
$137.00   $96.00
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Technical Information
Catalog Number:
AA0006LJ
Chemical Name:
Methyl 3-amino-4-cyanothiophene-2-carboxylate
CAS Number:
102123-28-4
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD00052590
IUPAC Name:
methyl 3-amino-4-cyanothiophene-2-carboxylate
InChI:
InChI=1S/C7H6N2O2S/c1-11-7(10)6-5(9)4(2-8)3-12-6/h3H,9H2,1H3
InChI Key:
AEWVEROSMGRHRG-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1N)C#N
Properties
Computed Properties
 
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
methyl 3-amino-4-cyanothiophene-2-carboxylate 
102123-28-4 
DTXSID60380916 
AEWVEROSMGRHRG-UHFFFAOYSA-N 
BBL103682 
CCG-45784 
MFCD00052590 
SBB089907 
STL557492 
AKOS005255205 
MCULE-4446959238 
PS-4380 
2-Thiophenecarboxylicacid, 3-amino-4-cyano-, methyl ester 
QC-6748 
RP03272 
VT20401 
SC-15022 
ZB003324 
AB0039367 
DB-007662 
RT-013797 
FT-0081359 
FT-0628535 
Methyl 3-amino-4-cyano thiophene-2-carboxylate 
Y6820 
X-4438 
methyl-3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE 
SR-01000635533-1 
W-204445 
I14-35176 
2-Thiophenecarboxylicacid,3-amino-4-cyano-,methyl ester 
3-Amino-4-cyanothiophene-2-carboxylic acid methyl ester 
Z1428159816 
2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester 
ACMC-1BOUI 
C7H6N2O2S 
ZINC00094992 
CID2778419 
AC1MCT91 
AC1Q42GZ 
SCHEMBL9097371 
CTK4A0699 
ZINC94992 
Literature
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