Home Amines 100063-22-7
100063-22-7,MFCD00068161
Catalog No.:AA0000QJ
2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester | 100063-22-7
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1g
98%
in stock  
$20.00
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5g
98%
in stock  
$75.00
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25g
98%(HPLC)
in stock  
$230.00
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100g
98%(HPLC)
in stock  
$693.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000QJ
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester
CAS Number:
100063-22-7
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD00068161
IUPAC Name:
methyl 3-amino-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C12H11NO2S/c1-15-12(14)11-9(13)7-10(16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChI Key:
QESSCNMSOLRYBO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)c1ccccc1
Properties
Computed Properties
 
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
methyl 3-amino-5-phenylthiophene-2-carboxylate 
100063-22-7 
ACMC-2097mh 
AC1LDT03 
AC1Q42HO 
SCHEMBL431794 
CTK0I2112 
HMS552M17 
KS-00000YNF 
ZINC80609 
DTXSID70351450 
QESSCNMSOLRYBO-UHFFFAOYSA-N 
Methyl 3-amino-5-phenyl-2-thiophenecarboxylate 
ACT02283 
ZX-AT000389 
ANW-14151 
BDBM50186643 
CM-527 
MFCD00068161 
SBB005525 
STL083744 
AKOS000280583 
CCG-141719 
2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester 
FS-1462 
MCULE-3096456136 
OR24261 
RP05628 
AC-15465 
AJ-10497 
AK-32612 
AN-34478 
BR-32612 
CC-30521 
CHEMBL207663 
CJ-00635 
ZB002843 
AX8000765 
BC4123982 
RT-004251 
FT-0602542 
methyl-3-amino-5-phenylthiophene-carboxylate 
ST24033243 
ST50407197 
3-Amino-2-(methoxycarbonyl)-5-phenylthiophene 
methyl-3-amino-5-phenylthiophene-2-carboxylate 
M-1788 
methyl 3-amino-5-phenyl-thiophene-2-carboxylate 
methyl-3-amino-5-phenyl-thiophene-2-carboxylate 
063M227 
C-13701 
I01-2978 
I09-1175 
Z56792521 
3-amino-5-phenylthiophene-2-carboxylic acid methyl ester 
F2146-0037 
methyl 3-amino-5-(4-phenyl)thiophene-2-carboxylate 
Methyl 3-amino-5-phenylthiophene-2-carboxylate, AldrichCPR 
C12H11NO2S 
CID700562 
ZINC00080609 
1,4-Piperazinediethanesulfonic acid sesquisodium salt 
Piperazine-N,N'-bis(2-ethanesulfonic acid) sesquisodium salt 
169759-79-9 
W-204338 
3-amino-5-phenyl-thiophene-2-carboxylic acid methyl ester 
Maybridge1_003977 
Literature
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