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820230-98-6 | 2(3H)-Thiazolimine, 5-(1-methylethyl)-3-(1-naphthalenylmethyl)-
CAS No: 820230-98-6 Catalog No: AG0053OP MDL No:
Product Description
Catalog Number:
AG0053OP
Chemical Name:
2(3H)-Thiazolimine, 5-(1-methylethyl)-3-(1-naphthalenylmethyl)-
CAS Number:
820230-98-6
Molecular Formula:
C17H18N2S
Molecular Weight:
282.4032
IUPAC Name:
3-(naphthalen-1-ylmethyl)-5-propan-2-yl-1,3-thiazol-2-imine
InChI:
InChI=1S/C17H18N2S/c1-12(2)16-11-19(17(18)20-16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12,18H,10H2,1-2H3
InChI Key:
FGKIQKKAFMXVAO-UHFFFAOYSA-N
SMILES:
CC(c1cn(c(=N)s1)Cc1cccc2c1cccc2)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.405g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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