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905-97-5 | 3,3′-Diethylthiacarbocyanine iodide
CAS No: 905-97-5 Catalog No: AG003ICB MDL No:MFCD00011956
Product Description
Catalog Number:
AG003ICB
Chemical Name:
3,3′-Diethylthiacarbocyanine iodide
CAS Number:
905-97-5
Molecular Formula:
C21H21IN2S2
Molecular Weight:
492.4393
MDL Number:
MFCD00011956
IUPAC Name:
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
VZBILKJHDPEENF-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C=CC=c2sc3c(n2CC)cccc3)sc2c1cccc2.[I-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
492.019g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.437g/mol
Monoisotopic Mass:
492.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Why are most phospholipidosis inducers also hERG blockers? | Archives of toxicology 20171201 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Leucine transport is affected by Bacillus thuringiensis Cry1 toxins in brush border membrane vesicles from Ostrinia nubilalis Hb (Lepidoptera: Pyralidae) and Sesamia nonagrioides Lefebvre (Lepidoptera: Noctuidae) midgut. | The Journal of membrane biology 20060101 |
| 1H NMR and optical spectroscopic investigation of the sequence-dependent dimerization of a symmetrical cyanine dye in the DNA minor groove. | Biochemistry 20051206 |
| Effect of PNA backbone modifications on cyanine dye binding to PNA-DNA duplexes investigated by optical spectroscopy and molecular dynamics simulations. | Journal of the American Chemical Society 20050316 |
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