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188754-23-6 | Benzothiazole, 6-decyl-2-[4-(heptyloxy)phenyl]-
CAS No: 188754-23-6 Catalog No: AG002H93 MDL No:
Product Description
Catalog Number:
AG002H93
Chemical Name:
Benzothiazole, 6-decyl-2-[4-(heptyloxy)phenyl]-
CAS Number:
188754-23-6
Molecular Formula:
C30H43NOS
Molecular Weight:
465.7335
IUPAC Name:
6-decyl-2-(4-heptoxyphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C30H43NOS/c1-3-5-7-9-10-11-12-14-16-25-17-22-28-29(24-25)33-30(31-28)26-18-20-27(21-19-26)32-23-15-13-8-6-4-2/h17-22,24H,3-16,23H2,1-2H3
InChI Key:
AGBYFTIAXZXURA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc2c(c1)sc(n2)c1ccc(cc1)OCCCCCCC
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.307g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.74g/mol
Monoisotopic Mass:
465.307g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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