Cas no 1204-53-1 (Benzoic acid,2-[(2-aminoethyl)dithio]-, hydrochloride (1:1))
![Benzoic acid,2-[(2-aminoethyl)dithio]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/1500/1204-53-1x500.png)
1204-53-1 structure
Product Name:Benzoic acid,2-[(2-aminoethyl)dithio]-, hydrochloride (1:1)
CAS No:1204-53-1
MF:C9H12ClNO2S2
MW:265.780078887939
CID:189238
PubChem ID:24199777
Update Time:2025-04-19
Benzoic acid,2-[(2-aminoethyl)dithio]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[(2-aminoethyl)dithio]-, hydrochloride (1:1)
- 2-(2-aminoethyldisulfanyl)benzoic acid
- 2-((2-Aminoethyl)dithio)benzoic acid
- 2-[(2-aminoethyl)disulfanyl]benzoic acid
- AC1L243C
- AC1Q5UAU
- AG-D-44658
- CTK4B1877
- NSC342011
- Benzoic acid, 2-[(2-aminoethyl)dithio]-, hydrochloride (1:1)
- Benzoic acid, o-[(2-aminoethyl)dithio]-, hydrochloride
- 2-(2-aminoethyldisulfanyl)benzoic acid hydrochloride
- NSC-342011
- 355TYX9HWN
- 1204-53-1
- DTXSID60923382
- 2-[(2-Aminoethyl)disulfanyl]benzoic acid--hydrogen chloride (1/1)
-
- Inchi： 1S/C9H11NO2S2.ClH/c10-5-6-13-14-8-4-2-1-3-7(8)9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H
- InChI Key： VLOOFEQKSUXWBQ-UHFFFAOYSA-N
- SMILES： Cl.S(C1C=CC=CC=1C(=O)O)SCCN
Computed Properties
- Exact Mass: 265
- Monoisotopic Mass: 265
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 190
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 114A^2
Experimental Properties
- Density: 1.38
- Boiling Point: 381.6°C at 760 mmHg
- Flash Point: 184.6°C
- Refractive Index: 1.671
- LogP: 3.58610
Benzoic acid,2-[(2-aminoethyl)dithio]-, hydrochloride (1:1) 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
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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