(dodecylsulfanyl)({[(dodecylsulfanyl)methanethioyl]disulfanyl})methanethione

• ChemBase ID: 143261
• Molecular Formular: C26H50S6
• Molecular Mass: 555.0652
• Monoisotopic Mass: 554.2236776
• SMILES: CCCCCCCCCCCCSC(=S)SSC(=S)SCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCSC(=S)SSC(=S)SCCCCCCCCCCCC
• InChI: InChI=1S/C26H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)31-32-26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
• InChIKey: UUNRYKCXJSDLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecylsulfanyl)({[(dodecylsulfanyl)methanethioyl]disulfanyl})methanethione
• IUPAC Traditional name: (dodecylsulfanyl)({[(dodecylsulfanyl)methanethioyl]disulfanyl})methanethione
• Synonyms: Bis(dodecylsulfanylthiocarbonyl) disulfide; 双(十二烷基硫烷基硫代羰基)二硫化物

Database IDs

• CAS Number: 870532-86-8
• MDL Number: MFCD16621489
• PubChem SID: 162237482
• PubChem CID: 11692515

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.806096
• LogD (pH = 7.4): 14.806096
• Log P: 14.806096
• Molar Refractivity: 169.6008 cm^3
• Polarizability: 68.02844 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 27
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 30-35 °C
• Flash Point: >110 °C; >230 °F

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: 98% (HPLC)
• Empirical Formula (Hill Notation): C26H50S6

DETAILS

Sigma Aldrich - 723126

Application
Precursor for the synthesis of RAFT agents for controlled radical polymerization.
General description
Need help choosing the correct RAFT Agent? Please consult the RAFT Agent to Monomer compatibility table.
Packaging
5 g in glass bottle
Legal Information
Sold for research purposes only: See sigma-aldrich.com/raftlicense. Patents: WO98/01478; WO99/311444.
Protocols & Applications
Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization