Cas no 62521-83-9 (2-Benzothiazolesulfenamide, N-(2-hydroxyethyl)-)
62521-83-9 structure
Product Name:2-Benzothiazolesulfenamide, N-(2-hydroxyethyl)-
CAS No:62521-83-9
MF:C9H10N2OS2
MW:226.318499088287
CID:441764
PubChem ID:71385602
Update Time:2025-04-19
2-Benzothiazolesulfenamide, N-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolesulfenamide, N-(2-hydroxyethyl)-
- 2-(1,3-benzothiazol-2-ylsulfanylamino)ethanol
- 2-{[(1,3-Benzothiazol-2-yl)sulfanyl]amino}ethan-1-ol
- 62521-83-9
- DTXSID30807827
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- Inchi： 1S/C9H10N2OS2/c12-6-5-10-14-9-11-7-3-1-2-4-8(7)13-9/h1-4,10,12H,5-6H2
- InChI Key： BJOAOJADWJXAHH-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=CC=CC1=2)SNCCO
Computed Properties
- Exact Mass: 226.0236
- Monoisotopic Mass: 226.02345529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 182
- 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: 1.8
- Topological Polar Surface Area: 98.7?2
Experimental Properties
- PSA: 45.15
2-Benzothiazolesulfenamide, N-(2-hydroxyethyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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