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150441-76-2 | Thiomorpholine, 4-[4-(tridecyloxy)phenyl]-, 1,1-dioxide
CAS No: 150441-76-2 Catalog No: AG001MLX MDL No:
Product Description
Catalog Number:
AG001MLX
Chemical Name:
Thiomorpholine, 4-[4-(tridecyloxy)phenyl]-, 1,1-dioxide
CAS Number:
150441-76-2
Molecular Formula:
C23H39NO3S
Molecular Weight:
409.6257
IUPAC Name:
4-(4-tridecoxyphenyl)-1,4-thiazinane 1,1-dioxide
InChI:
InChI=1S/C23H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-27-23-15-13-22(14-16-23)24-17-20-28(25,26)21-18-24/h13-16H,2-12,17-21H2,1H3
InChI Key:
SXNRGLLAZQWRAR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOc1ccc(cc1)N1CCS(=O)(=O)CC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.265g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.629g/mol
Monoisotopic Mass:
409.265g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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