Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide

Base Information

• Chemical Name: Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide
• CAS No.: 69766-80-9
• Molecular Formula: C21H21 N2 S2 . Br
• Molecular Weight: 445.43884
• Mol file: 69766-80-9.mol

Synonyms:C21H21N2S2.Br;C21-H21-N2-S2.Br;Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, bromide (1:1);Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide;Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-, bromide

Chemical Property of Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide

Chemical Property:

• PSA: 65.29000
• LogP: 1.83820
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 444.03295
• Heavy Atom Count: 26
• Complexity: 499

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(=CC1=[N+](C2=CC=CC=C2S1)C)C=C3N(C4=CC=CC=C4S3)C.[Br-]
• Isomeric SMILES: CC/C(=C/C1=[N+](C2=CC=CC=C2S1)C)/C=C/3\N(C4=CC=CC=C4S3)C.[Br-]

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