Home Carboxys Methyl 2-amino-5-benzylthiophene-3-carboxylate

Methyl 2-amino-5-benzylthiophene-3-carboxylate

CAS No.:
350988-48-6
Catalog Number:
AG00C5CE
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$114
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Product Description
Catalog Number:
AG00C5CE
Chemical Name:
Methyl 2-amino-5-benzylthiophene-3-carboxylate
CAS Number:
350988-48-6
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD01922019
IUPAC Name:
methyl 2-amino-5-benzylthiophene-3-carboxylate
InChI:
InChI=1S/C13H13NO2S/c1-16-13(15)11-8-10(17-12(11)14)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3
InChI Key:
YKXDEESISYXCCS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(sc1N)Cc1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties