(3R,6S)-5-Oxo-6-(Sulfanylmethyl)-1-Thia-4-Azacyclotridecane-3-Carboxylic Acid
[CAS# 150198-30-4]

Identification

• Name: (3R,6S)-5-Oxo-6-(Sulfanylmethyl)-1-Thia-4-Azacyclotridecane-3-Carboxylic Acid
• Synonyms: (3R,6S)-6-(Mercaptomethyl)-5-Oxo-1-Thia-4-Azacyclotridecane-3-Carboxylic Acid; (3R,6S)-5-Keto-6-(Mercaptomethyl)-1-Thia-4-Azacyclotridecane-3-Carboxylic Acid; 1-Thia-4-Azacyclotridecane-3-Carboxylic Acid, 6-(Mercaptomethyl)-5-Oxo-, (3R-(3R*,6S*))-
• Molecular Formula: C₁₃H₂₃NO₃S₂
• Molecular Weight: 305.45
• CAS Registry Number: 150198-30-4
• SMILES: [C@@H]1(NC(=O)[C@H](CCCCCCCSC1)CS)C(=O)O
• InChI: 1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10-,11+/m1/s1
• InChIKey: IEXLNMCXTFFDIL-MNOVXSKESA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 574.68°C at 760 mmHg (Cal.)
• Flash point: 301.356°C (Cal.)