3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONICACID
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![3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONICACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/90a4382c5ad74a88bdcfd9b40e44481d.png "3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONICACID")
3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONICACID
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CAS No:
7338-78-5
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Formula:
C6H7N3O3S
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Chemical Name:
3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONICACID
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Synonyms:
3-(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid;1,2,4-Triazine-6-propanoicacid, 2,3,4,5-tetrahydro-5-oxo-3-thioxo-;3-(3-Mercapto-5-oxo-4,5-dihydro-[1,2,4]triazin-6-yl)-propionic acid;3-(5-Oxo-3-sulfanyl-2,5-dihydro-1,2,4-triazin-6-yl)propanoic acid;3-(5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid;3-(5-Oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)propionic acid;3-(5-oxo-3-thioxo-2H,4H-1,2,4-triazin-6-yl)propanoic acid;MLS000100434;3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid;Oprea1_106910
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CAS No:
3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONICACID Basic Attributes
201.20300
201.02100
DTXSID00362897
2933699090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:201.21
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:201.02081227
Monoisotopic Mass:201.02081227
Topological Polar Surface Area:123
Heavy Atom Count:13
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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