200,000+ products from a single source!
sales@angenechem.com
1025678-19-6 | Methanesulfonothioic acid, S-[2-[[2-[4-(1,2-diphenyl-1-buten-1-yl)phenoxy]ethyl]methylamino]ethyl] ester
CAS No: 1025678-19-6 Catalog No: AG0007Q0 MDL No:
Product Description
Catalog Number:
AG0007Q0
Chemical Name:
Methanesulfonothioic acid, S-[2-[[2-[4-(1,2-diphenyl-1-buten-1-yl)phenoxy]ethyl]methylamino]ethyl] ester
CAS Number:
1025678-19-6
Molecular Formula:
C28H33NO3S2
Molecular Weight:
495.6965
IUPAC Name:
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N-methyl-N-(2-methylsulfonylsulfanylethyl)ethanamine
InChI:
InChI=1S/C28H33NO3S2/c1-4-27(23-11-7-5-8-12-23)28(24-13-9-6-10-14-24)25-15-17-26(18-16-25)32-21-19-29(2)20-22-33-34(3,30)31/h5-18H,4,19-22H2,1-3H3
InChI Key:
ZYKOLRQKLGUPAC-UHFFFAOYSA-N
SMILES:
CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(CCSS(=O)(=O)C)C)c1ccccc1
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.19g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.696g/mol
Monoisotopic Mass:
495.19g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.