Vat Red 41

Base Information

• Chemical Name: Vat Red 41
• CAS No.: 522-75-8
• Molecular Formula: C16H8O2S2
• Molecular Weight: 296.37
• Hs Code.: 3204159000
• European Community (EC) Number: 208-336-1
• Nikkaji Number: J139.637D,J10.142G
• Wikipedia: Thioindigo
• Wikidata: Q411535
• Mol file: 522-75-8.mol

Synonyms:(delta-2,2'(3H,3'H)-bibenzo(b)thiophene)-3,3'-dione;thioindigo

Chemical Property of Vat Red 41

Chemical Property:

• Vapor Pressure: 6.62E-07mmHg at 25°C
• Melting Point: 280°C(lit.)
• Refractive Index: 1.797
• Boiling Point: 409.2 °C at 760 mmHg
• Flash Point: 177 °C
• PSA: 84.74000
• Density: 1.544 g/cm³
• LogP: 4.17520
• Water Solubility.: 1mg/L
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 295.99657184
• Heavy Atom Count: 20
• Complexity: 453

Purity/Quality:

99% ^*data from raw suppliers

Thioindigo ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4S3)S2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)/C(=C\3/C(=O)C4=CC=CC=C4S3)/S2