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Home Carboxys 2-Thiophenecarboxylic acid, 3-amino-5-[4-(1,1-dimethylethyl)phenyl]-, methyl ester

2-Thiophenecarboxylic acid, 3-amino-5-[4-(1,1-dimethylethyl)phenyl]-, methyl ester

CAS No.:
175201-46-4
Catalog Number:
AG0020EJ
Molecular Formula:
C16H19NO2S
Molecular Weight:
289.3926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$282
- +
5g
1 week
United States
$1012
- +
Product Description
Catalog Number:
AG0020EJ
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-5-[4-(1,1-dimethylethyl)phenyl]-, methyl ester
CAS Number:
175201-46-4
Molecular Formula:
C16H19NO2S
Molecular Weight:
289.3926
MDL Number:
MFCD00068155
IUPAC Name:
methyl 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxylate
InChI:
InChI=1S/C16H19NO2S/c1-16(2,3)11-7-5-10(6-8-11)13-9-12(17)14(20-13)15(18)19-4/h5-9H,17H2,1-4H3
InChI Key:
UFMSMLSNDDSQKN-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.114g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.393g/mol
Monoisotopic Mass:
289.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties