3-(2-Naphthylsulfanyl)Propanoic Acid
[CAS# 1141-45-3]

Identification

• Name: 3-(2-Naphthylsulfanyl)Propanoic Acid
• Synonyms: 3-(2-Naphthylmercapto)propionic acid; 3-(2-Naphthylsulfanyl)propanoic acid #; 3-(2-NAPHTHYLTHIO)PROPIONIC ACID
• Molecular Formula: C₁₃H₁₂O₂S
• Molecular Weight: 232.30
• CAS Registry Number: 1141-45-3
• SMILES: C1=CC=C2C=C(C=CC2=C1)SCCC(=O)O
• InChI: 1S/C13H12O2S/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)
• InChIKey: XMQJAJQNGNSZFY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 103-107°C (Expl.)
• Boiling point: 440.6±28.0°C at 760 mmHg (Cal.)
• Flash point: 220.3±24.0°C (Cal.)
• Refractive index: 1.668 (Cal.)

Safety Data

• Safety Code: S26;S36
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Powers RA, Morandi F, Shoichet BK. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Structure. 2002 Jul;10(7):1013-23