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23219-45-6 | Benzothiazole, 2,3-dihydro-2-methyl-2-(phenylmethyl)-
CAS No: 23219-45-6 Catalog No: AG002MK0 MDL No:
Product Description
Catalog Number:
AG002MK0
Chemical Name:
Benzothiazole, 2,3-dihydro-2-methyl-2-(phenylmethyl)-
CAS Number:
23219-45-6
Molecular Formula:
C15H15NS
Molecular Weight:
241.3513
IUPAC Name:
2-benzyl-2-methyl-3H-1,3-benzothiazole
InChI:
InChI=1S/C15H15NS/c1-15(11-12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)17-15/h2-10,16H,11H2,1H3
InChI Key:
PSEVJLDVANGBEB-UHFFFAOYSA-N
SMILES:
CC1(Cc2ccccc2)Nc2c(S1)cccc2
Properties
Complexity:
262
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:
1
Isotope Atom Count:
0
Molecular Weight:
241.352g/mol
Monoisotopic Mass:
241.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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