3-Ethyl-2-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]benzothiazolium iodide supplier

Name
IR SENSITIZER 762ABS
EINECS 281-047-6
CAS No. 83846-69-9
Density
Solubility
Melting Point
Formula C₃₀H₃₃N₂S₂^.I
Boiling Point
Molecular Weight 612.63
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethyl-2-[[3-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]benzothiazoliumiodide (6CI);Benzothiazolium,3-ethyl-2-[3-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-,iodide (9CI);DNTTCI;LC 8850;
PSA 65.29000
LogP 4.69660

3-Ethyl-2-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]benzothiazolium iodide Specification

The 3-Ethyl-2-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]benzothiazolium iodide, with CAS registry number 83846-69-9, has the systematic name of 3-ethyl-2-[(Z)-{3-[(1E,3Z)-3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl]-1,3-benzothiazol-3-ium iodide. And its IUPAC name is (2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole iodide.

Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 60.66 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].CCN4c5ccccc5S/C4=C\C=C\C1=C\C(CC(C)(C)C1)=C/c3sc2ccccc2[n+]3CC
(2)InChI: InChI=1/C30H33N2S2.HI/c1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;/h7-19H,5-6,20-21H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: XIKBXWGLIPMDCY-REWHXWOFAP
(4)Std. InChI: InChI=1S/C30H33N2S2.HI/c1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;/h7-19H,5-6,20-21H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: XIKBXWGLIPMDCY-UHFFFAOYSA-M

Product Name

IR SENSITIZER 762ABS

3-Ethyl-2-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]benzothiazolium iodide Specification

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