2-(4-Pyridinylthio)acetic acid
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2-(4-Pyridinylthio)acetic acid
structure -
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CAS No:
10351-19-6
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Formula:
C7H7NO2S
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Chemical Name:
2-(4-Pyridinylthio)acetic acid
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Synonyms:
Acetic acid,2-(4-pyridinylthio)-;Acetic acid,(4-pyridylthio)-;Acetic acid,(4-pyridinylthio)-;2-(4-Pyridinylthio)acetic acid;4-[(Carboxymethyl)thio]pyridine;4-Pyridylthioacetic acid;4-Pyridinylthioacetic acid;4-Pyridinylsulfanylacetic acid;4-Pyridylmercaptoacetic acid;2-(Pyridin-4-ylsulfanyl)acetic acid;2-Pyridin-4-ylsulfanylacetic acid;933757-14-3
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CAS No:
2-(4-Pyridinylthio)acetic acid Basic Attributes
169.2
169.20
129738
233-765-6
DTXSID2065048
29333999
Characteristics
75.5
0.39
Off-White crystalline solid
1.2936 (rough estimate)
270 °C (decomp)
349.5±22.0 °C(Predicted)
165.2±22.3 °C
1.6100 (estimate)
insoluble
Refrigerator
1.76E-05mmHg at 25°C
Safety Information
3
36/37/38
26-37/39-24/25-36
Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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:169.20
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:169.01974964
Monoisotopic Mass:169.01974964
Topological Polar Surface Area:75.5
Heavy Atom Count:11
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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