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115240-86-3 | Propanedinitrile, 2-[2-(3-ethyl-4-methyl-2(3H)-thiazolylidene)ethylidene]-
CAS No: 115240-86-3 Catalog No: AG000GHT MDL No:
Product Description
Catalog Number:
AG000GHT
Chemical Name:
Propanedinitrile, 2-[2-(3-ethyl-4-methyl-2(3H)-thiazolylidene)ethylidene]-
CAS Number:
115240-86-3
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
IUPAC Name:
2-[2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)ethylidene]propanedinitrile
InChI:
InChI=1S/C11H11N3S/c1-3-14-9(2)8-15-11(14)5-4-10(6-12)7-13/h4-5,8H,3H2,1-2H3
InChI Key:
UJODSBGBPRDKEY-UHFFFAOYSA-N
SMILES:
N#CC(=CC=c1scc(n1CC)C)C#N
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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