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2510-09-0 | Propanedinitrile, 2-[2-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2,3-dihydro-1H-inden-1-ylidene]-
CAS No: 2510-09-0 Catalog No: AG002QH9 MDL No:
Product Description
Catalog Number:
AG002QH9
Chemical Name:
Propanedinitrile, 2-[2-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2,3-dihydro-1H-inden-1-ylidene]-
CAS Number:
2510-09-0
Molecular Formula:
C23H17N3S
Molecular Weight:
367.4662
IUPAC Name:
2-[2-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3H-inden-1-ylidene]propanedinitrile
InChI:
InChI=1S/C23H17N3S/c1-2-26-20-9-5-6-10-21(20)27-22(26)12-11-17-13-16-7-3-4-8-19(16)23(17)18(14-24)15-25/h3-12H,2,13H2,1H3
InChI Key:
LIZIESYQZAPZQM-UHFFFAOYSA-N
SMILES:
N#CC(=C1C(=CC=c2sc3c(n2CC)cccc3)Cc2c1cccc2)C#N
Properties
Complexity:
769
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.47g/mol
Monoisotopic Mass:
367.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.7
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