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104169-07-5 | Benzothiazole, 2-(1-ethylpentyl)-2,3-dihydro-3-methyl- (9CI)
CAS No: 104169-07-5 Catalog No: AG009KEY MDL No:
Product Description
Catalog Number:
AG009KEY
Chemical Name:
Benzothiazole, 2-(1-ethylpentyl)-2,3-dihydro-3-methyl- (9CI)
CAS Number:
104169-07-5
IUPAC Name:
2-heptan-3-yl-3-methyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C15H23NS/c1-4-6-9-12(5-2)15-16(3)13-10-7-8-11-14(13)17-15/h7-8,10-12,15H,4-6,9H2,1-3H3
InChI Key:
KRQGGVCQVXLFFR-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.155g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.416g/mol
Monoisotopic Mass:
249.155g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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