200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 14387-31-6
14387-31-6 | Benzoic acid, 4,4'-thiobis-, 1,1'-dimethyl ester
CAS No: 14387-31-6 Catalog No: AG001IID MDL No:
Product Description
Catalog Number:
AG001IID
Chemical Name:
Benzoic acid, 4,4'-thiobis-, 1,1'-dimethyl ester
CAS Number:
14387-31-6
Molecular Formula:
C16H14O4S
Molecular Weight:
302.3450
IUPAC Name:
methyl 4-(4-methoxycarbonylphenyl)sulfanylbenzoate
InChI:
InChI=1S/C16H14O4S/c1-19-15(17)11-3-7-13(8-4-11)21-14-9-5-12(6-10-14)16(18)20-2/h3-10H,1-2H3
InChI Key:
TYABUYDBJUMHCY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Sc1ccc(cc1)C(=O)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.344g/mol
Monoisotopic Mass:
302.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.