Cas no 89050-61-3 (Benzoic acid, 3-[(4-carboxyphenyl)dithio]-)
![Benzoic acid, 3-[(4-carboxyphenyl)dithio]- structure](https://ossimg.kuujia.com/scimg/89500/89050-61-3x500.png)
89050-61-3 structure
Product Name:Benzoic acid, 3-[(4-carboxyphenyl)dithio]-
CAS No:89050-61-3
MF:C14H10O4S2
MW:306.356801509857
CID:614346
PubChem ID:13213110
Update Time:2025-04-19
Benzoic acid, 3-[(4-carboxyphenyl)dithio]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-[(4-carboxyphenyl)dithio]-
- 3-[(4-carboxyphenyl)disulfanyl]benzoic acid
- SCHEMBL9315801
- 89050-61-3
- DTXSID60528417
-
- Inchi： 1S/C14H10O4S2/c15-13(16)9-4-6-11(7-5-9)19-20-12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
- InChI Key： KESUMXBAOISVHH-UHFFFAOYSA-N
- SMILES： S(C1=CC=CC(C(=O)O)=C1)SC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 306.00205114g/mol
- Monoisotopic Mass: 306.00205114g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 125?2
Benzoic acid, 3-[(4-carboxyphenyl)dithio]- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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