2-{[3-(methoxycarbonyl)benzyl]thio}nicotinic acid

Modify Date: 2025-11-17 07:39:31

2-{[3-(methoxycarbonyl)benzyl]thio}nicotinic acid Structure
2-{[3-(methoxycarbonyl)benzyl]thio}nicotinic acid structure
Common Name 2-{[3-(methoxycarbonyl)benzyl]thio}nicotinic acid
CAS Number 298186-03-5 Molecular Weight 303.333
Density 1.4±0.1 g/cm3 Boiling Point 501.3±50.0 °C at 760 mmHg
Molecular Formula C15H13NO4S Melting Point N/A
MSDS N/A Flash Point 257.0±30.1 °C

 Names

Name 2-{[3-(methoxycarbonyl)benzyl]thio}nicotinic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 501.3±50.0 °C at 760 mmHg
Molecular Formula C15H13NO4S
Molecular Weight 303.333
Flash Point 257.0±30.1 °C
Exact Mass 303.056519
LogP 2.40
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.642
InChIKey DLLHCAWNXZGBOK-UHFFFAOYSA-N
SMILES COC(=O)c1cccc(CSc2ncccc2C(=O)O)c1

 Synonyms

MFCD00205151
2-{[3-(methoxycarbonyl)benzyl]thio}nicotinic acid
2-{[3-(Methoxycarbonyl)benzyl]sulfanyl}nicotinic acid
3-Pyridinecarboxylic acid, 2-[[[3-(methoxycarbonyl)phenyl]methyl]thio]-
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