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820230-91-9 | 2(3H)-Thiazolimine, 4-methyl-3-(1-naphthalenylmethyl)-
CAS No: 820230-91-9 Catalog No: AG005D9X MDL No:
Product Description
Catalog Number:
AG005D9X
Chemical Name:
2(3H)-Thiazolimine, 4-methyl-3-(1-naphthalenylmethyl)-
CAS Number:
820230-91-9
Molecular Formula:
C15H14N2S
Molecular Weight:
254.3501
IUPAC Name:
4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-imine
InChI:
InChI=1S/C15H14N2S/c1-11-10-18-15(16)17(11)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,10,16H,9H2,1H3
InChI Key:
JDHDSJVHERTUDL-UHFFFAOYSA-N
SMILES:
Cc1csc(=N)n1Cc1cccc2c1cccc2
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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