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104169-06-4 | Benzothiazole, 2,3-dihydro-3-methyl-2-nonyl-
CAS No: 104169-06-4 Catalog No: AG007EMA MDL No:
Product Description
Catalog Number:
AG007EMA
Chemical Name:
Benzothiazole, 2,3-dihydro-3-methyl-2-nonyl-
CAS Number:
104169-06-4
Molecular Formula:
C17H27NS
Molecular Weight:
277.4680
IUPAC Name:
3-methyl-2-nonyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C17H27NS/c1-3-4-5-6-7-8-9-14-17-18(2)15-12-10-11-13-16(15)19-17/h10-13,17H,3-9,14H2,1-2H3
InChI Key:
JUUJTHKHEOFMIU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1Sc2c(N1C)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.186g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.47g/mol
Monoisotopic Mass:
277.186g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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