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681281-88-9 | 5-(2-BENZOTHIAZOLYL)-3-ETHYL-2-(-(METHY
CAS No: 681281-88-9 Catalog No: AG00FFQU MDL No:MFCD00570739
Product Description
Catalog Number:
AG00FFQU
Chemical Name:
5-(2-BENZOTHIAZOLYL)-3-ETHYL-2-(-(METHY
CAS Number:
681281-88-9
Molecular Formula:
C31H27IN4S
Molecular Weight:
614.5423
MDL Number:
MFCD00570739
IUPAC Name:
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline;iodide
InChI:
InChI=1S/C31H27N4S.HI/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24;/h4-22H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
NAYRELMNTQSBIN-UHFFFAOYSA-M
SMILES:
CC[n+]1c(/C=C/N(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1.[I-]
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
614.1g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
614.549g/mol
Monoisotopic Mass:
614.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 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 |
| A chemical genetic screen identifies inhibitors of regulated nuclear export of a Forkhead transcription factor in PTEN-deficient tumor cells. | Cancer cell 20031201 |
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