Einecs 263-944-4

Base Information

• Chemical Name: Einecs 263-944-4
• CAS No.: 63148-94-7
• Deprecated CAS: 166304-68-3
• Molecular Formula: C36H46Cl2N4O6S3
• Molecular Weight: 797.8746
• European Community (EC) Number: 263-944-4
• Mol file: 63148-94-7.mol

Synonyms:EINECS 263-944-4;63148-94-7;C30H31Cl2N3O6S3.C6H15N;C30-H31-Cl2-N3-O6-S3.C6-H15-N;Naphtho[1,2-d]thiazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-(3-sulfopropyl)-, hydroxide, inner salt, compound with N,N-diethylethanamine (1:1)

Chemical Property of Einecs 263-944-4

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 796.1956541
• Heavy Atom Count: 51
• Complexity: 1290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)[O-])CCC(C)S(=O)(=O)O)Cl)Cl.CCN(CC)CC
• Isomeric SMILES: CCN\1C2=CC(=C(C=C2N(/C1=C/C=C/C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)[O-])CCC(C)S(=O)(=O)O)Cl)Cl.CCN(CC)CC