RefChem:118659
3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole bromide
Also Known As: Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-, bromide|2-(2-Ethyl-3-(3-methyl-2-benzothiazolylidene)propenyl)-3-methylbenzothiazolium bromide|3-METHYL-2-[2-[(3-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]BUT-1-ENYL]BENZOTHIAZOLIUM BROMIDE|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-buten-1-yl]-, bromide (1:1)|3-Methyl-2-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium bromide|Benzothiazolium,3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-,bromide (1:1)
| Molecular Formula | C21H21BrN2S2 |
|---|---|
| Molecular Weight | 444.03296 g/mol |
| LogP | 2.6067 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.03296 |
| Monoisotopic Mass | 444.03296 |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 69766-80-9 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2S1)C)C=C3N(C4=CC=CC=C4S3)C.[Br-] |
| InChIKey | YGIDDLBDMNEECL-UHFFFAOYSA-M |
Product Overview
RefChem:118659 (CAS 69766-80-9), with molecular formula C21H21BrN2S2 and molecular weight 444.03296 g/mol. IUPAC: 3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole bromide.