Cas no 33682-62-1 (2(3H)-Benzothiazolethione,3,6-dimethyl-)
33682-62-1 structure
Product Name:2(3H)-Benzothiazolethione,3,6-dimethyl-
CAS No:33682-62-1
MF:C9H9NS2
MW:195.30445933342
CID:305022
Update Time:2024-01-27
2(3H)-Benzothiazolethione,3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolethione,3,6-dimethyl-
- 2-Benzothiazolinethione,3,6-dimethyl- (8CI)
- 2(3H)-Benzothiazolethione,3,6-dimethyl-(9CI)
-
- Inchi： 1S/C9H9NS2/c1-6-3-4-7-8(5-6)12-9(11)10(7)2/h3-5H,1-2H3
- InChI Key： IOONUZCTABILRW-UHFFFAOYSA-N
- SMILES： S1C2=CC(C)=CC=C2N(C)C1=S
Computed Properties
- Exact Mass: 195.01777
- Monoisotopic Mass: 195.018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 205
- 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
- Topological Polar Surface Area: 60.6A^2
Experimental Properties
- Density: 1.33
- Boiling Point: 313.9 °C at 760 mmHg
- Flash Point: 143.6 °C
- PSA: 3.24
2(3H)-Benzothiazolethione,3,6-dimethyl- Related Literature
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
33682-62-1 (2(3H)-Benzothiazolethione,3,6-dimethyl-) Related Products
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