• ChemBase ID: 58297
• Molecular Formular: C14H10S4
• Molecular Mass: 306.4892
• Monoisotopic Mass: 305.96653432
• SMILES: c1(C(=S)SSC(=S)c2ccccc2)ccccc1
• Canonical SMILES: S=C(c1ccccc1)SSC(=S)c1ccccc1
• InChI: InChI=1S/C14H10S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
• InChIKey: LWGLGSPYKZTZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Diphenyldithioperoxyanhydride; Bis(thiobenzoyl) disulfide; 双(硫代苯甲酰基)二硫化物

Database IDs

• CAS Number: 5873-93-8
• MDL Number: MFCD12911774
• PubChem SID: 162063060
• PubChem CID: 10902862

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6132627
• LogD (pH = 7.4): 6.6132627
• Log P: 6.6132627
• Molar Refractivity: 93.6416 cm^3
• Polarizability: 36.788464 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 94-96 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 50/53
• Safety Statements: 60-61
• TSCA Listed: false
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: >90% (HPLC)
• Empirical Formula (Hill Notation): C14H10S4

DETAILS

Sigma Aldrich - 723118

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