2-(METHYLTHIO)NICOTINIC ACID
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2-(METHYLTHIO)NICOTINIC ACID
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CAS No:
74470-23-8
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Formula:
C7H7NO2S
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Chemical Name:
2-(METHYLTHIO)NICOTINIC ACID
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Synonyms:
TIMTEC-BB SBB003868;2-(METHYLMERCAPTO)NICOTINIC ACID;2-(METHYLTHIO)NICOTINIC ACID;2-(METHYLTHIO)PYRIDINE-3-CARBOXYLIC ACID;2-(METHYLSULFANYL)NICOTINIC ACID;2-(Methylmercapto)pyridine-3-carboxylic acid~2-(Methylthio)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-(methylthio)-;2-(methylmercapto)pyridine-3-carboxylic acid
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CAS No:
2-(METHYLTHIO)NICOTINIC ACID Basic Attributes
169.2
169.02000
4391503
-0
95872
DTXSID50294336
2933399090
Characteristics
75.49000
1.50170
white to off-white powder
1.36 g/cm3
214-218 °C
329.6ºC at 760 mmHg
153.2ºC
Safety Information
NONH for all modes of transport
3
36/37/38
36-26
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:169.01974964
Monoisotopic Mass:169.01974964
Topological Polar Surface Area:75.5
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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