2,2-(ethane-1,2-diylbis(sulfanediyl))dibenzoic acid

: Iupac Name：2-[2-(2-carboxyphenyl)sulfanylethylsulfanyl]benzoic acid; CAS No.: 52961-83-8; Molecular Weight：334.4; Modify Date.: 2022-11-28 08:41

1. Names and Identifiers

: 1.1 Name; 2,2-(ethane-1,2-diylbis(sulfanediyl))dibenzoic acid; 1.2 Synonyms; 1.2-Bis-(2-carboxy-phenylmercapto)-aethan 2,2'-Aethandiyldimercapto-di-benzoesaeure 2,2'-ethanediyldimercapto-di-benzoic acid 2.2'.Aethylendimercapto-dibenzoesaeure

1.6 Inchi: InChI=1S/C16H14O4S2/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)

2. Properties

3. Computational chemical data

Molecular Weight: 334.4g/mol
Molecular Formula: C₁₆H₁₄O₄S₂
Compound Is Canonicalized: True
XLogP3-AA: 3.7
Exact Mass: 334.03335127
Monoisotopic Mass: 334.03335127
Complexity: 352
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 125
Heavy Atom Count: 22
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccB4OABgAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgQACAAADACE2ACwCYAAAgiIAiDSCAACAAAkCBAIiBkACMgIJjKgFRCAcQAkwAEomYeIyCCOAAAAAAAEAAAAAAAAAAgAAAAAAAAAAA==

4. Recommended Suppliers

Global1SuppliersView all >>

LIFE CHEMICALS, formerly I.F. Lab

Inquire

5. Realated Product Infomation

1089-77-6 ethane-1,2-diylbis(phenylphosphinic acid)

1421927-53-8 6,6'-(Ethane-1,2-diylbis(azanediyl))bis(dibenzo[c,e][1,2]oxaphosphinine-6-oxide)“

36475-52-2 [ethane-1,2-diylbis[[(phosphonomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid

83169-98-6 3,3''-[ethane-1,2-diylbis(oxy)]dibenzaldehyde

20708-36-5 [ethane-1,2-diylbis[imino[(2-hydroxyphenyl)methylene]]]bisphosphonic acid

111-22-8 2,2'-[ethane-1,2-diylbis(oxy)]bisethyl dinitrate

93919-79-0 dodecasodium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

Recently Updated : 1566722-26-6 1565025-23-1 1564889-53-7 1566621-11-1 1566247-71-9 1566157-97-8 1566246-39-6 1564860-12-3 1565492-22-9 1566156-49-7