Cas no 7778-70-3 (2(3H)-Benzothiazolethione,potassium salt (1:1))
7778-70-3 structure
Product Name:2(3H)-Benzothiazolethione,potassium salt (1:1)
CAS No:7778-70-3
MF:C7H4KNS2
MW:205.341659545898
CID:566035
PubChem ID:23686450
Update Time:2025-04-19
2(3H)-Benzothiazolethione,potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolethione,potassium salt (1:1)
- 2-Mercaptobenzothiazole, potassium salt
- 2(3H)-Benzothiazolethione, potassium salt
- 2-Benzothiazolethiol, potassium salt
- benzothiazole-2(3H)-thione, potassium salt
- Nsc166397
- Potassium 2-mercaptobenzothiazolate
- Potassium 2-mercaptobenzothiazole
- potassium 2-sulphanylbenzothiazolate
- potassium benz-1,3-thiazoline-2-thionate
- potassium benzothiazole-2-thiolate
- Potassium mercaptobenzothiazole salt
- 2-Mercaptobenzothiazole potassium salt
- Caswell No. 541B
- Q27285068
- NSC 166397
- Benzothiazole-2(3H)-thione,potassium salt
- NV0GQ9IQ38
- 7778-70-3
- NSC-166397
- UNII-NV0GQ9IQ38
- EINECS 231-910-8
- EPA Pesticide Chemical Code 051707
- 2(3H)-Benzothiazolethione, potassium salt (1:1)
-
- Inchi： 1S/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
- InChI Key： ZKTKNAXWCMIKLK-UHFFFAOYSA-M
- SMILES： [K+].S1C([N-]C2C=CC=CC1=2)=S
Computed Properties
- Exact Mass: 205.95000
- Monoisotopic Mass: 205.95
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 158
- 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: 69.4A^2
Experimental Properties
- Melting Point: 180.2-181.7 DEG C
- Boiling Point: 281.3°C at 760 mmHg
- Flash Point: 123.9°C
- PSA: 76.12000
- LogP: 2.95890
2(3H)-Benzothiazolethione,potassium salt (1:1) Related Literature
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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