3-{[(Methylsulfanyl)Carbonyl]Amino}-1-Adamantanecarboxylic Acid
[CAS# 342046-29-1]

Identification

• Name: 3-{[(Methylsulfanyl)Carbonyl]Amino}-1-Adamantanecarboxylic Acid
• Synonyms: 3-([(METHYLTHIO)CARBONYL]AMINO)ADAMANTANE-1-CARBOXYLIC ACID; 3-{[(methylthio)carbonyl]amino}-1-adamantanecarboxylic acid; 3-{[(methylthio)carbonyl]amino}adamantane-1-carboxylic acid
• Molecular Formula: C₁₃H₁₉NO₃S
• Molecular Weight: 269.36
• CAS Registry Number: 342046-29-1
• SMILES: O=C(SC)NC13CC2(C(=O)O)CC(CC(C1)C2)C3
• InChI: 1S/C13H19NO3S/c1-18-11(17)14-13-5-8-2-9(6-13)4-12(3-8,7-13)10(15)16/h8-9H,2-7H2,1H3,(H,14,17)(H,15,16)
• InChIKey: CFJDXKRKCMCKOD-UHFFFAOYSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Refractive index: 1.604 (Cal.)