200,000+ products from a single source!
sales@angenechem.com
144879-30-1 | Butanoic acid, 4-[(2-amino-3-methylphenyl)thio]-, ethyl ester
CAS No: 144879-30-1 Catalog No: AG001K9U MDL No:
Product Description
Catalog Number:
AG001K9U
Chemical Name:
Butanoic acid, 4-[(2-amino-3-methylphenyl)thio]-, ethyl ester
CAS Number:
144879-30-1
Molecular Formula:
C13H19NO2S
Molecular Weight:
253.3605
IUPAC Name:
ethyl 4-(2-amino-3-methylphenyl)sulfanylbutanoate
InChI:
InChI=1S/C13H19NO2S/c1-3-16-12(15)8-5-9-17-11-7-4-6-10(2)13(11)14/h4,6-7H,3,5,8-9,14H2,1-2H3
InChI Key:
HRVZOHDFJIIASG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCSc1cccc(c1N)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.36g/mol
Monoisotopic Mass:
253.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.