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68549-49-5 | Benzothiazole, 3-ethyl-2,3-dihydro-2-phenyl-
CAS No: 68549-49-5 Catalog No: AG005PFW MDL No:
Product Description
Catalog Number:
AG005PFW
Chemical Name:
Benzothiazole, 3-ethyl-2,3-dihydro-2-phenyl-
CAS Number:
68549-49-5
Molecular Formula:
C15H15NS
Molecular Weight:
241.3513
IUPAC Name:
3-ethyl-2-phenyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C15H15NS/c1-2-16-13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3
InChI Key:
JUHMMTPMCGTCLZ-UHFFFAOYSA-N
SMILES:
CCN1C(Sc2c1cccc2)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.352g/mol
Monoisotopic Mass:
241.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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