ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
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![ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/86c4f6ca378240328be20e8f5500d217.png "ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate")
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
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CAS No:
40106-36-3
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Formula:
C13H14N2O3S
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Chemical Name:
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
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Synonyms:
MLS000757023;40106-36-3;ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate;2-ETHOXYCARBONYL-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-4-ONE;SMR000109593;NSC310113;Maybridge1_003660;Oprea1_319910;Oprea1_536404;MLS000113699;SCHEMBL3916185;CHEMBL1452243;HMS551O08;DTXSID30317017;HMS2161B07;HMS3323F09;ZINC8655995;AKOS000282194;CCG-242286;MCULE-5637574397;NSC-310113;EU-0074612;ST50020092;SR-01000459518;SR-01000459518-1;Ethyl 3,4,5,6,7,8-hexahydro-4-oxobenzothieno[2,3-d]pyrimidine-2-carboxylate;ethyl 4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidine-2-carboxyla te
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CAS No:
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate Basic Attributes
278.33 g/mol
278.07251349 g/mol
310113
DTXSID30317017
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:278.33
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:278.07251349
Monoisotopic Mass:278.07251349
Topological Polar Surface Area:96
Heavy Atom Count:19
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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