2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
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![2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/56ea39135820468899610f316acc28a2.png "2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid")
2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
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CAS No:
64679-65-8
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Formula:
C5H7N3O2S
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Chemical Name:
2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
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Synonyms:
Acetic acid,2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]-;Acetic acid,[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-;2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid;NSC 78999;Tiazotic acid;[(5-Methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid;((5-Methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid;2-((5-Methyl-1H-1,2,4-triazol-3-yl)thio)acetic acid;2-[(5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-[(3-Methyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid;2-[(5-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
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CAS No:
2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid Basic Attributes
173.19300
173.19
813-419-6
YEZ00M9XKN
78999
DTXSID40214967
C - Cardiovascular system
2933990090
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 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:173.20
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:173.02589765
Monoisotopic Mass:173.02589765
Topological Polar Surface Area:104
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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