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188754-25-8 | Benzothiazole, 6-dodecyl-2-[4-(heptyloxy)phenyl]-
CAS No: 188754-25-8 Catalog No: AG002H92 MDL No:
Product Description
Catalog Number:
AG002H92
Chemical Name:
Benzothiazole, 6-dodecyl-2-[4-(heptyloxy)phenyl]-
CAS Number:
188754-25-8
Molecular Formula:
C32H47NOS
Molecular Weight:
493.7867
IUPAC Name:
6-dodecyl-2-(4-heptoxyphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C32H47NOS/c1-3-5-7-9-10-11-12-13-14-16-18-27-19-24-30-31(26-27)35-32(33-30)28-20-22-29(23-21-28)34-25-17-15-8-6-4-2/h19-24,26H,3-18,25H2,1-2H3
InChI Key:
YHTNPAWQPXTDSB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc2c(c1)sc(n2)c1ccc(cc1)OCCCCCCC
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.338g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.794g/mol
Monoisotopic Mass:
493.338g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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