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68934-22-5 | Benzothiazole, 2,3-dihydro-2-methyl-2-(2-naphthalenyl)-
CAS No: 68934-22-5 Catalog No: AG006FBS MDL No:
Product Description
Catalog Number:
AG006FBS
Chemical Name:
Benzothiazole, 2,3-dihydro-2-methyl-2-(2-naphthalenyl)-
CAS Number:
68934-22-5
Molecular Formula:
C18H15NS
Molecular Weight:
277.3834
IUPAC Name:
2-methyl-2-naphthalen-2-yl-3H-1,3-benzothiazole
InChI:
InChI=1S/C18H15NS/c1-18(19-16-8-4-5-9-17(16)20-18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,19H,1H3
InChI Key:
JHFGTGULCDUZRT-UHFFFAOYSA-N
SMILES:
CC1(Nc2c(S1)cccc2)c1ccc2c(c1)cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.385g/mol
Monoisotopic Mass:
277.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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