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81050-08-0 | Benzoic acid,2,2'-dithiobis-, dipropyl ester (9CI)
CAS No: 81050-08-0 Catalog No: AG005HIE MDL No:
Product Description
Catalog Number:
AG005HIE
Chemical Name:
Benzoic acid,2,2'-dithiobis-, dipropyl ester (9CI)
CAS Number:
81050-08-0
Molecular Formula:
C20H22O4S2
Molecular Weight:
390.5163
IUPAC Name:
propyl 2-[(2-propoxycarbonylphenyl)disulfanyl]benzoate
InChI:
InChI=1S/C20H22O4S2/c1-3-13-23-19(21)15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)20(22)24-14-4-2/h5-12H,3-4,13-14H2,1-2H3
InChI Key:
HPBZTACBXGMLBZ-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCC
EC Number:
279-679-2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.512g/mol
Monoisotopic Mass:
390.096g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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