S-(2-{[5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}ethyl) methanesulfonothioate
[CAS# 162758-04-5]

Identification

• Name: S-(2-{[5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}ethyl) methanesulfonothioate
• Synonyms: MTSEA Biotin
• Molecular Formula: C₁₃H₂₃N₃O₄S₃
• Molecular Weight: 381.53
• CAS Registry Number: 162758-04-5
• SMILES: O=C1NC2C(SCC2N1)CCCCC(=O)NCCSS(=O)(=O)C
• InChI: 1S/C13H23N3O4S3/c1-23(19,20)22-7-6-14-11(17)5-3-2-4-10-12-9(8-21-10)15-13(18)16-12/h9-10,12H,2-8H2,1H3,(H,14,17)(H2,15,16,18)
• InChIKey: CQPWMXNDGWWWHG-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 779.885°C at 760 mmHg (Cal.)
• Flash point: 425.459°C (Cal.)
• Refractive index: 1.566 (Cal.)