2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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![2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d1f0441801944a74b2d83e065aac8328.png "2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one")
2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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CAS No:
51646-33-4
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Formula:
C13H12N4OS
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Chemical Name:
2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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Synonyms:
51646-33-4;CHEMBL135703;2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;2-(benzylthio)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one;2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one;2-Benzylthio-5-methyl-s-triazolo[1,5-a]pyrimidin-7-ol;2-BENZYLTHIO-5-METHYL-S-TRIAZOLO(1,5-A)PYRIMIDIN-7-OL;MLS000552058;SCHEMBL20160737;DTXSID90365731;HMS2158M07;HMS3323C01;2-(benzylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;BDBM50397822;STK217664;STK596878;ZINC18219592;AKOS002265075;AKOS005076966;ZINC100126423;MCULE-6126276816;SDCCGSBI-0139152.P001;SMR000145783;ST50167121;11D-541;2-(Benzylthio)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;2-Benzylsulfanyl-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-methyl-2-(phenylmethylthio)-4,8-dihydro-1,2,4-triazolo[1,5-a]pyrimidin-7-one;107518-49-0
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CAS No:
2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Basic Attributes
272.33 g/mol
272.07318219 g/mol
DTXSID90365731
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:272.33
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:272.07318219
Monoisotopic Mass:272.07318219
Topological Polar Surface Area:82.4
Heavy Atom Count:19
Complexity:477
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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