4-Amino-3-methoxy-5-sulfanylbenzoic acid
[CAS# 739366-12-2]

Identification

• Name: 4-Amino-3-methoxy-5-sulfanylbenzoic acid
• Synonyms: 4-amino-3-mercapto-5-methoxybenzoic acid
• Molecular Formula: C₈H₉NO₃S
• Molecular Weight: 199.23
• CAS Registry Number: 739366-12-2
• SMILES: Nc1c(OC)cc(cc1S)C(O)=O
• InChI: 1S/C8H9NO3S/c1-12-5-2-4(8(10)11)3-6(13)7(5)9/h2-3,13H,9H2,1H3,(H,10,11)
• InChIKey: QOYSPWLJTVJIAP-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 409.669°C at 760 mmHg (Cal.)
• Flash point: 201.561°C (Cal.)
• Refractive index: 1.664 (Cal.)