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820230-86-2 | 2(3H)-Thiazolimine, 5-methyl-3-(1-naphthalenylmethyl)-
CAS No: 820230-86-2 Catalog No: AG004YFI MDL No:
Product Description
Catalog Number:
AG004YFI
Chemical Name:
2(3H)-Thiazolimine, 5-methyl-3-(1-naphthalenylmethyl)-
CAS Number:
820230-86-2
Molecular Formula:
C15H14N2S
Molecular Weight:
254.3501
IUPAC Name:
5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-imine
InChI:
InChI=1S/C15H14N2S/c1-11-9-17(15(16)18-11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9,16H,10H2,1H3
InChI Key:
UAGSEULIINYZRG-UHFFFAOYSA-N
SMILES:
Cc1cn(c(=N)s1)Cc1cccc2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.351g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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