Cas no 166450-64-2 ( )
structure
Product Name:
CAS No:166450-64-2
MF:C10H11NOS
MW:193.265441179276
CID:904951
PubChem ID:45077238
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-methoxyethyl)-1,3-benzothiazole
- Benzothiazole, 2-(1-methoxyethyl)- (9CI)
- DB-274707
- DTXSID00663275
- Benzothiazole,2-(1-methoxyethyl)-(9ci)
- 166450-64-2
- Benzothiazole, 2-(1-methoxyethyl)-
-
-
- Inchi： 1S/C10H11NOS/c1-7(12-2)10-11-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3
- InChI Key： MABGDBXSOISORR-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1C(C)OC
Computed Properties
- Exact Mass: 193.05623
- Monoisotopic Mass: 193.05613515g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 22.12
Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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