200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 840527-80-2
840527-80-2 | Benzoic acid, 4,4'-thiobis-, didodecyl ester
CAS No: 840527-80-2 Catalog No: AG004T7M MDL No:
Product Description
Catalog Number:
AG004T7M
Chemical Name:
Benzoic acid, 4,4'-thiobis-, didodecyl ester
CAS Number:
840527-80-2
Molecular Formula:
C38H58O4S
Molecular Weight:
610.9297
IUPAC Name:
dodecyl 4-(4-dodecoxycarbonylphenyl)sulfanylbenzoate
InChI:
InChI=1S/C38H58O4S/c1-3-5-7-9-11-13-15-17-19-21-31-41-37(39)33-23-27-35(28-24-33)43-36-29-25-34(26-30-36)38(40)42-32-22-20-18-16-14-12-10-8-6-4-2/h23-30H,3-22,31-32H2,1-2H3
InChI Key:
QNQZHASEZKLMRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1ccc(cc1)Sc1ccc(cc1)C(=O)OCCCCCCCCCCCC
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.406g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
610.938g/mol
Monoisotopic Mass:
610.406g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.