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820230-94-2 | 2(3H)-Thiazolimine, 5-ethyl-3-(1-naphthalenylmethyl)-
CAS No: 820230-94-2 Catalog No: AG0053OQ MDL No:
Product Description
Catalog Number:
AG0053OQ
Chemical Name:
2(3H)-Thiazolimine, 5-ethyl-3-(1-naphthalenylmethyl)-
CAS Number:
820230-94-2
Molecular Formula:
C16H16N2S
Molecular Weight:
268.3766
IUPAC Name:
5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-imine
InChI:
InChI=1S/C16H16N2S/c1-2-14-11-18(16(17)19-14)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,11,17H,2,10H2,1H3
InChI Key:
GSIYQJICNZAGMP-UHFFFAOYSA-N
SMILES:
CCc1cn(c(=N)s1)Cc1cccc2c1cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.378g/mol
Monoisotopic Mass:
268.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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