Cas no 42517-27-1 (2-Ethyl-6-isothiocyanato-1,3-benzothiazole)
42517-27-1 structure
Product Name:2-Ethyl-6-isothiocyanato-1,3-benzothiazole
CAS No:42517-27-1
MF:C10H8N2S2
MW:220.313919067383
CID:928209
PubChem ID:21564069
Update Time:2025-04-19
2-Ethyl-6-isothiocyanato-1,3-benzothiazole Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole, 2-ethyl-6-isothiocyanato- (9CI)
- DB-285881
- SCHEMBL11789639
- BENZOTHIAZOLE, 2-ETHYL-6-ISOTHIOCYANATO-
- 42517-27-1
- 2-Ethyl-6-isothiocyanato-1,3-benzothiazole
-
- Inchi： 1S/C10H8N2S2/c1-2-10-12-8-4-3-7(11-6-13)5-9(8)14-10/h3-5H,2H2,1H3
- InChI Key： BJUFGMWWTVOPQG-UHFFFAOYSA-N
- SMILES： S1C(CC)=NC2C=CC(=CC1=2)N=C=S
Computed Properties
- Exact Mass: 220.01289061g/mol
- Monoisotopic Mass: 220.01289061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 4.6
- Topological Polar Surface Area: 85.6?2
2-Ethyl-6-isothiocyanato-1,3-benzothiazole Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
42517-27-1 (2-Ethyl-6-isothiocyanato-1,3-benzothiazole) Related Products
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