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89806-43-9 | 2-Benzothiazolesulfenamide, N-hexadecyl-
CAS No: 89806-43-9 Catalog No: AG003YA6 MDL No:
Product Description
Catalog Number:
AG003YA6
Chemical Name:
2-Benzothiazolesulfenamide, N-hexadecyl-
CAS Number:
89806-43-9
Molecular Formula:
C23H38N2S2
Molecular Weight:
406.6912
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)hexadecan-1-amine
InChI:
InChI=1S/C23H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-27-23-25-21-18-15-16-19-22(21)26-23/h15-16,18-19,24H,2-14,17,20H2,1H3
InChI Key:
HLTARBJMLXVSAZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNSc1sc2c(n1)cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.248g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.691g/mol
Monoisotopic Mass:
406.248g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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