Cas no 1204-52-0 (Benzoic acid,2-[(2-aminoethyl)dithio]-)
1204-52-0 structure
Product Name:Benzoic acid,2-[(2-aminoethyl)dithio]-
CAS No:1204-52-0
MF:C9H11NO2S2
MW:229.319139719009
CID:182384
PubChem ID:14559
Update Time:2025-04-19
Benzoic acid,2-[(2-aminoethyl)dithio]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2-[(2-aminoethyl)dithio]-
- 2-(2-azaniumylethyldisulfanyl)benzoate
- BENZOIC ACID, 2-(2-AMINOETHYLDITHIO)-, inner salt
- 1204-52-0
- 2-(2-Aminoethyldithio)benzoic acid inner salt
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- Inchi: 1S/C9H11NO2S2/c10-5-6-13-14-8-4-2-1-3-7(8)9(11)12/h1-4H,5-6,10H2,(H,11,12)
- InChI Key: MDWMGDVMLUFHTD-UHFFFAOYSA-N
- SMILES: S(CC[NH3+])SC1C=CC=CC=1C(=O)[O-]
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
- XLogP3: -0.6
Experimental Properties
- Density: 1.38
- Boiling Point: 381.6°C at 760 mmHg
- Flash Point: 184.6°C
- Refractive Index: 1.671
Benzoic acid,2-[(2-aminoethyl)dithio]- Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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