2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
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![2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/02782cb0ef1d4fa29553f332193dfb6a.png "2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid")
2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
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CAS No:
112811-90-2
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Formula:
C13H11NO2S
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Chemical Name:
2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
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Synonyms:
3-Pyridinecarboxylic acid,2-[(phenylmethyl)thio]-;2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid;2-(Phenylmethylthio)-3-pyridinecarboxylic acid;2-Benzylsulfanylpyridine-3-carboxylic acid;2-(Benzylsulfanyl)pyridine-3-carboxylic acid
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CAS No:
Characteristics
75.49000
1.64
1.33±0.1 g/cm3(Predicted)
190-193 °C
431.1±40.0 °C(Predicted)
205.8±31.5 °C
1.634
3.73E-07mmHg at 25°C
Safety Information
P264, P280, P305+P351+P338, P33, P313
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 14 companies from 2 notifications to the ECHA C&L Inventory.
2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid Use and Manufacturing
Used as pharmaceutical intermediate
3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:245.30
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:245.05104977
Monoisotopic Mass:245.05104977
Topological Polar Surface Area:75.5
Heavy Atom Count:17
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
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2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
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