Cas no 20751-81-9 (2,4-dimethyl-5-nitro-1,3-thiazole)
20751-81-9 structure
Product Name:2,4-dimethyl-5-nitro-1,3-thiazole
CAS No:20751-81-9
MF:C5H6N2O2S
MW:158.178339481354
CID:910441
PubChem ID:298459
Update Time:2025-04-19
2,4-dimethyl-5-nitro-1,3-thiazole Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dimethyl-5-nitro-1,3-thiazole
- ZINC15781703; 3,4-dimethyl-5-nitro-pyridine; 2,4-dimethyl-5-nitro-thiazole; 5-Nitro-2,4-dimethyl-thiazol; AKOS006292059; 2,4-Dimethyl-5-nitrothiazol; 3,4-Dimethyl-5-nitro-thiazol; Ambcb4036766;
- NSC-170608
- SCHEMBL2211175
- 20751-81-9
- NSC170608
- DTXSID20305382
-
- Inchi： 1S/C5H6N2O2S/c1-3-5(7(8)9)10-4(2)6-3/h1-2H3
- InChI Key： BYPDKSUPMPAFPC-UHFFFAOYSA-N
- SMILES： S1C(C)=NC(C)=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 158.01508
- Monoisotopic Mass: 158.01499861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 147
- 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: 1.9
- Topological Polar Surface Area: 87?2
Experimental Properties
- PSA: 56.03
2,4-dimethyl-5-nitro-1,3-thiazole Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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5. 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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