Benzotiazol

Benzotiazol
Space filling model of benzothiazole	Ball-and-stick model of benzothiazole
	1,3-Benzotiazol
Identifikacija
CAS registarski broj	95-16-9
PubChem	7222
ChemSpider	6952
UNII	G5BW2593EP
ChEBI	45993
ChEMBL	CHEMBL510309
Jmol-3D slike	Slika 1
SMILES
	n1c2ccccc2sc1
InChI
	InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H ; Kod: IOJUPLGTWVMSFF-UHFFFAOYSA-N InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H; Kod: IOJUPLGTWVMSFF-UHFFFAOYAC
Svojstva
Molekulska formula	C7H5NS
Molarna masa	135.19 g mol−1
Gustina	1,238 g/mL
Tačka topljenja	2 °C, 275 K, 36 °F
Tačka ključanja	227-228 °C, 500-501 K, 441-442 °F
	(šta je ovo?) (verifikuj) ; Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
	Infobox references

Benzotiazol je aromatično heterociklično jedinjenje sa hemijskom formulom C₇H₅NS. On je bezbojna, slabo viskozna tečnost. Ovo jedinjenje je u osnovi mnogih široko korišćenih derivata. Jedan od derivata benzotiazola je komponenta luciferina koja emituje svetlo, i koja je prisutna u [[svitac|svitcima.

Structure and preparation

Benzotiazol se sastoji od petočlanog 1,3-tiazolnog prstena kondenzovanog sa benzenom. Devet atoma bicikličnog sistema i njihovi supstituenti su koplanarni.

Benzotiazoli se pripremaju tretiranjem 2-aminobenzentiola sa acil hloridima:^[5]

C₆H₄(NH₂)SH + RC(O)Cl → C₆H₄(NH)SCR + HCl + H₂O

Povezano

Benzoksazol

Reference

↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit
↑ T. E. Gilchrist "Heterocyclic Chemistry" 3rd Edition, Longman, 1992.

Spoljašnje veze

Portal Hemija

MSDS Arhivirano 2004-12-13 na Wayback Machine-u

[1] Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit

[2] Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.

[3] Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit

[4] Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit

[5] T. E. Gilchrist "Heterocyclic Chemistry" 3rd Edition, Longman, 1992.

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