200,000+ products from a single source!
sales@angenechem.com
188593-64-8 | 1,3-Benzenedicarboxylic acid, 1,3-bis(2-mercaptoethyl) ester
CAS No: 188593-64-8 Catalog No: AG002H0Z MDL No:
Product Description
Catalog Number:
AG002H0Z
Chemical Name:
1,3-Benzenedicarboxylic acid, 1,3-bis(2-mercaptoethyl) ester
CAS Number:
188593-64-8
Molecular Formula:
C12H14O4S2
Molecular Weight:
286.3672
IUPAC Name:
bis(2-sulfanylethyl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C12H14O4S2/c13-11(15-4-6-17)9-2-1-3-10(8-9)12(14)16-5-7-18/h1-3,8,17-18H,4-7H2
InChI Key:
OXKUOWHDARPANL-UHFFFAOYSA-N
SMILES:
SCCOC(=O)c1cccc(c1)C(=O)OCCS
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.36g/mol
Monoisotopic Mass:
286.033g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.