2-(2-Pyrimidinylthio)acetic acid
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2-(2-Pyrimidinylthio)acetic acid
structure -
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CAS No:
88768-45-0
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Formula:
C6H6N2O2S
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Chemical Name:
2-(2-Pyrimidinylthio)acetic acid
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Synonyms:
Acetic acid,2-(2-pyrimidinylthio)-;Acetic acid,(2-pyrimidinylthio)-;2-(2-Pyrimidinylthio)acetic acid;(2-Pyrimidylthio)acetic acid;[(Pyrimidin-2-yl)thio]acetic acid;4-Pyrimidylthioacetic acid;2-(Carboxymethylthio)pyrimidine;(Pyrimidin-2-ylsulfanyl)acetic acid;2-(Pyrimidin-2-ylsulfanyl)acetic acid;2-Pyrimidin-2-ylsulfanylacetic acid;1397283-63-4
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CAS No:
Characteristics
88.4 Ų
1.382 (estimate)
199-200 °C @ Solvent: Water
356.1±25.0 °C(Predicted)
1.6490 (estimate)
>25.5 [ug/mL]
3.16±0.10
Safety Information
3
36/37/38
26-37/39
Xi
|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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.19
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:170.01499861
Monoisotopic Mass:170.01499861
Topological Polar Surface Area:88.4
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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