2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid
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![2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e06f2f892f33449096e46133e18b3151.png "2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid")
2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid
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CAS No:
309283-89-4
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Formula:
C11H8N4O2S
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Chemical Name:
2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid
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Synonyms:
5H-1,2,4-Triazino[5,6-b]indole-5-acetic acid,2,3-dihydro-3-thioxo-;2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid;(2-Mercapto-1,3,4,9-tetraaza-fluoren-9-yl)-acetic acid;2-(3-Sulfanylidene-2H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
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CAS No:
Safety Information
IRRITANT
Xi
|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, P330, P332+P313, P337+P313, P362, 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:260.27
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:260.03679668
Monoisotopic Mass:260.03679668
Topological Polar Surface Area:109
Heavy Atom Count:18
Complexity:474
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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