RefChem:118633

3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Also Known As: Benzothiazolium, 3-ethyl-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]-, iodide|3-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;iodide|Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide|Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)|Benzothiazolium, 3-ethyl-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]-, iodide (1:1)|3-Ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Molecular Formula	C19H24INS
Molecular Weight	425.0674 g/mol
LogP	2.36
Topological Polar Surface Area	3.88 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	2
Exact Mass	425.0674
Heavy Atoms	22
Complexity	737.0

Chemical Identifiers

CAS Number	34685-93-3
SMILES	CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C)(C)C.[I-]