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200618-68-4 | 2-(Octadecylsulfanyl)-1,3-benzothiazole
CAS No: 200618-68-4 Catalog No: AG01EUHI MDL No:
Product Description
Catalog Number:
AG01EUHI
Chemical Name:
2-(Octadecylsulfanyl)-1,3-benzothiazole
CAS Number:
200618-68-4
Molecular Formula:
C25H41NS2
Molecular Weight:
419.7297
IUPAC Name:
2-octadecylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C25H41NS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25-26-23-20-17-18-21-24(23)28-25/h17-18,20-21H,2-16,19,22H2,1H3
InChI Key:
RBCKELHDGBEBPT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSc1sc2c(n1)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.268g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.73g/mol
Monoisotopic Mass:
419.268g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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