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88437-10-9 | Benzothiazole, 2,3-dihydro-2-(2,4,6-trimethylphenyl)-
CAS No: 88437-10-9 Catalog No: AG004HI5 MDL No:
Product Description
Catalog Number:
AG004HI5
Chemical Name:
Benzothiazole, 2,3-dihydro-2-(2,4,6-trimethylphenyl)-
CAS Number:
88437-10-9
Molecular Formula:
C16H17NS
Molecular Weight:
255.3779
IUPAC Name:
2-(2,4,6-trimethylphenyl)-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C16H17NS/c1-10-8-11(2)15(12(3)9-10)16-17-13-6-4-5-7-14(13)18-16/h4-9,16-17H,1-3H3
InChI Key:
SVCVTOGVQMAVMJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C1Nc2c(S1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.379g/mol
Monoisotopic Mass:
255.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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