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Methyl 2-amino-4-(4-sec-butylphenyl)thiophene-3-carboxylate

CAS No.:
350990-15-7
Catalog Number:
AG00C5U0
Molecular Formula:
C16H19NO2S
Molecular Weight:
289.3926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00C5U0
Chemical Name:
Methyl 2-amino-4-(4-sec-butylphenyl)thiophene-3-carboxylate
CAS Number:
350990-15-7
Molecular Formula:
C16H19NO2S
Molecular Weight:
289.3926
MDL Number:
MFCD01921983
IUPAC Name:
methyl 2-amino-4-(4-butan-2-ylphenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C16H19NO2S/c1-4-10(2)11-5-7-12(8-6-11)13-9-20-15(17)14(13)16(18)19-3/h5-10H,4,17H2,1-3H3
InChI Key:
YISMYZGHMHYBHU-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)c1csc(c1C(=O)OC)N)C
Properties
Complexity:
328  
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:
5  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties