200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139597-84-5
139597-84-5 | Benzene, 1,1'-oxybis[4-[2-[(4-methylphenyl)sulfonyl]-2-(methylthio)ethyl]- (9CI)
CAS No: 139597-84-5 Catalog No: AG001BD5 MDL No:
Product Description
Catalog Number:
AG001BD5
Chemical Name:
Benzene, 1,1'-oxybis[4-[2-[(4-methylphenyl)sulfonyl]-2-(methylthio)ethyl]- (9CI)
CAS Number:
139597-84-5
Molecular Formula:
C32H34O5S4
Molecular Weight:
626.8694
IUPAC Name:
1-methyl-4-[2-[4-[4-[2-(4-methylphenyl)sulfonyl-2-methylsulfanylethyl]phenoxy]phenyl]-1-methylsulfanylethyl]sulfonylbenzene
InChI:
InChI=1S/C32H34O5S4/c1-23-5-17-29(18-6-23)40(33,34)31(38-3)21-25-9-13-27(14-10-25)37-28-15-11-26(12-16-28)22-32(39-4)41(35,36)30-19-7-24(2)8-20-30/h5-20,31-32H,21-22H2,1-4H3
InChI Key:
SUFZQHOZHJPLLP-UHFFFAOYSA-N
SMILES:
CSC(S(=O)(=O)c1ccc(cc1)C)Cc1ccc(cc1)Oc1ccc(cc1)CC(S(=O)(=O)c1ccc(cc1)C)SC
Properties
Complexity:
892
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.129g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.859g/mol
Monoisotopic Mass:
626.129g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.