Cas no 27639-57-2 (Benzothiazole, 2-[(phenylmethyl)dithio]-)
![Benzothiazole, 2-[(phenylmethyl)dithio]- structure](https://ossimg.kuujia.com/scimg/28000/27639-57-2x500.png)
27639-57-2 structure
Product Name:Benzothiazole, 2-[(phenylmethyl)dithio]-
CAS No:27639-57-2
MF:C14H11NS3
MW:289.438839197159
CID:1432269
PubChem ID:563001
Update Time:2025-04-20
Benzothiazole, 2-[(phenylmethyl)dithio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole, 2-[(phenylmethyl)dithio]-
- 2-(benzyldisulfanyl)-1,3-benzothiazole
- 27639-57-2
- 2-Benzothiazolyl benzyl disulfide
- DTXSID80340259
- 2-(Benzyldisulfanyl)-1,3-benzothiazole #
- ZHRUTKMJRWNGFI-UHFFFAOYSA-N
-
- Inchi： 1S/C14H11NS3/c1-2-6-11(7-3-1)10-16-18-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
- InChI Key： ZHRUTKMJRWNGFI-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=CC=CC1=2)SSCC1C=CC=CC=1
Computed Properties
- Exact Mass: 289.00553
- Monoisotopic Mass: 289.00536288g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 255
- 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: 4.8
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 12.89
Benzothiazole, 2-[(phenylmethyl)dithio]- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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