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138593-65-4 | Benzothiazole, 2,3-dihydro-2-methyl-3-octadecyl-
CAS No: 138593-65-4 Catalog No: AG0018TB MDL No:
Product Description
Catalog Number:
AG0018TB
Chemical Name:
Benzothiazole, 2,3-dihydro-2-methyl-3-octadecyl-
CAS Number:
138593-65-4
Molecular Formula:
C26H45NS
Molecular Weight:
403.7072
IUPAC Name:
2-methyl-3-octadecyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C26H45NS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-24(2)28-26-22-19-18-21-25(26)27/h18-19,21-22,24H,3-17,20,23H2,1-2H3
InChI Key:
HBKVQTQWBAPPCN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1C(C)Sc2c1cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.327g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.713g/mol
Monoisotopic Mass:
403.327g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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