200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116849-76-4
116849-76-4 | 2-Propen-1-one, 1-(4-methoxyphenyl)-3-(methylthio)-3-(1-pyrrolidinyl)-
CAS No: 116849-76-4 Catalog No: AG000D9T MDL No:
Product Description
Catalog Number:
AG000D9T
Chemical Name:
2-Propen-1-one, 1-(4-methoxyphenyl)-3-(methylthio)-3-(1-pyrrolidinyl)-
CAS Number:
116849-76-4
Molecular Formula:
C15H19NO2S
Molecular Weight:
277.3819
IUPAC Name:
1-(4-methoxyphenyl)-3-methylsulfanyl-3-pyrrolidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C15H19NO2S/c1-18-13-7-5-12(6-8-13)14(17)11-15(19-2)16-9-3-4-10-16/h5-8,11H,3-4,9-10H2,1-2H3
InChI Key:
FSEPZXWQXLTUMR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=C(N1CCCC1)SC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.382g/mol
Monoisotopic Mass:
277.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.