Cas no 191474-79-0 (2-Benzothiazolecarbonitrile,4,7-dimethoxy-)
191474-79-0 structure
Product Name:2-Benzothiazolecarbonitrile,4,7-dimethoxy-
CAS No:191474-79-0
MF:C10H8N2O2S
MW:220.247720718384
CID:116009
PubChem ID:10751400
Update Time:2025-04-18
2-Benzothiazolecarbonitrile,4,7-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile,4,7-dimethoxy-
- 2-Benzothiazolecarbonitrile,4,7-dimethoxy-(9CI)
- 4,7-DIMETHOXY-1,3-BENZOTHIAZOLE-2-CARBONITRILE
- 191474-79-0
-
- Inchi： 1S/C10H8N2O2S/c1-13-6-3-4-7(14-2)10-9(6)12-8(5-11)15-10/h3-4H,1-2H3
- InChI Key： OMHSOZYAMFBETA-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC2C(=CC=C(C1=2)OC)OC
Computed Properties
- Exact Mass: 220.03074
- Monoisotopic Mass: 220.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 278
- 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: 2.4
- Topological Polar Surface Area: 83.4?2
Experimental Properties
- PSA: 55.14
2-Benzothiazolecarbonitrile,4,7-dimethoxy- Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
191474-79-0 (2-Benzothiazolecarbonitrile,4,7-dimethoxy-) Related Products
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