200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114657-12-4
114657-12-4 | Benzene, 1-(phenoxymethyl)-4-[(phenylthio)methyl]-
CAS No: 114657-12-4 Catalog No: AG000EXO MDL No:
Product Description
Catalog Number:
AG000EXO
Chemical Name:
Benzene, 1-(phenoxymethyl)-4-[(phenylthio)methyl]-
CAS Number:
114657-12-4
Molecular Formula:
C20H18OS
Molecular Weight:
306.4213
IUPAC Name:
1-(phenoxymethyl)-4-(phenylsulfanylmethyl)benzene
InChI:
InChI=1S/C20H18OS/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14H,15-16H2
InChI Key:
MIWJSDVSMFDFOR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCc1ccc(cc1)CSc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.108g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.423g/mol
Monoisotopic Mass:
306.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.