Cas no 26929-63-5 (Benzoic acid,2-(ethyldithio)-)
Benzoic acid,2-(ethyldithio)- structure
Product Name:Benzoic acid,2-(ethyldithio)-
CAS No:26929-63-5
MF:C9H10O2S2
MW:214.304500102997
CID:260012
PubChem ID:334890
Update Time:2025-04-19
Benzoic acid,2-(ethyldithio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(ethyldithio)-
- 2-(ethyldisulfanyl)benzoic acid
- (2-carboxyphenyl)-1-ethyldisulfide
- 2-(Ethyldithio)benzoic acid
- 2-ethyldithiobenzoic acid
- AC1L7GC2
- AG-E-85347
- CTK4F8748
- NSC342013
- o-Carboxyphenyl ethyl disulfide
- S-(ethylthio)mercaptobenzoic acid
- Benzoic acid, 2-(ethyldithio)-
- BENZOIC ACID, O-(ETHYLDITHIO)-
- NSC 342013
- LNGQPNABYYRMBF-UHFFFAOYSA-N
- 26929-63-5
- 2-(ethyldisulfanyl)benzoicacid
- SCHEMBL19334145
- DTXSID60181425
- 2-(Ethyldisulfanyl)benzoic acid #
- NSC-342013
- UNII-VCI99Y2SLK
- VCI99Y2SLK
-
- Inchi： 1S/C9H10O2S2/c1-2-12-13-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChI Key： LNGQPNABYYRMBF-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)SCC
Computed Properties
- Exact Mass: 214.0123
- Monoisotopic Mass: 214.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 173
- 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: 2.4
- Topological Polar Surface Area: 87.9?2
Experimental Properties
- Density: 1.32
- Boiling Point: 337.2°Cat760mmHg
- Flash Point: 157.7°C
- Refractive Index: 1.64
- PSA: 37.3
- LogP: 3.14500
Benzoic acid,2-(ethyldithio)- Related Literature
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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
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
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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