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928617-88-3 | 2-Benzothiazolesulfenamide, N,N-bis(2-ethylhexyl)-
CAS No: 928617-88-3 Catalog No: AG006KZ5 MDL No:
Product Description
Catalog Number:
AG006KZ5
Chemical Name:
2-Benzothiazolesulfenamide, N,N-bis(2-ethylhexyl)-
CAS Number:
928617-88-3
Molecular Formula:
C23H38N2S2
Molecular Weight:
406.6912
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
InChI:
InChI=1S/C23H38N2S2/c1-5-9-13-19(7-3)17-25(18-20(8-4)14-10-6-2)27-23-24-21-15-11-12-16-22(21)26-23/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
InChI Key:
UBHUJVKAJQRWRR-UHFFFAOYSA-N
SMILES:
CCCCC(CN(Sc1nc2c(s1)cccc2)CC(CCCC)CC)CC
Properties
Complexity:
361
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:
0
Isotope Atom Count:
0
Molecular Weight:
406.691g/mol
Monoisotopic Mass:
406.248g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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