Cas no 196205-27-3 (Benzothiazole,7-methyl-5-nitro-)
196205-27-3 structure
Product Name:Benzothiazole,7-methyl-5-nitro-
CAS No:196205-27-3
MF:C8H6N2O2S
MW:194.210440158844
CID:116903
PubChem ID:22728027
Update Time:2025-04-18
Benzothiazole,7-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,7-methyl-5-nitro-
- Benzothiazole, 7-methyl-5-nitro- (9CI)
- 7-Methyl-5-nitrobenzothiazole
- SCHEMBL6782693
- 196205-27-3
- LQSHSFOUMDTSGT-UHFFFAOYSA-N
- 7-Methyl-5-nitro-1,3-benzothiazole
-
- Inchi： 1S/C8H6N2O2S/c1-5-2-6(10(11)12)3-7-8(5)13-4-9-7/h2-4H,1H3
- InChI Key： LQSHSFOUMDTSGT-UHFFFAOYSA-N
- SMILES： S1C=NC2=CC(=CC(C)=C12)[N+](=O)[O-]
Computed Properties
- Exact Mass: 194.01508
- Monoisotopic Mass: 194.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 219
- 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: 87A^2
- XLogP3: 2.6
Experimental Properties
- PSA: 56.03
Benzothiazole,7-methyl-5-nitro- Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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