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89449-67-2 | 2-Propanethiol, 1-[4-(dimethylamino)butoxy]-3-(hexadecyloxy)-
CAS No: 89449-67-2 Catalog No: AG004347 MDL No:
Product Description
Catalog Number:
AG004347
Chemical Name:
2-Propanethiol, 1-[4-(dimethylamino)butoxy]-3-(hexadecyloxy)-
CAS Number:
89449-67-2
Molecular Formula:
C25H53NO2S
Molecular Weight:
431.7588
IUPAC Name:
1-[4-(dimethylamino)butoxy]-3-hexadecoxypropane-2-thiol
InChI:
InChI=1S/C25H53NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-27-23-25(29)24-28-22-19-17-20-26(2)3/h25,29H,4-24H2,1-3H3
InChI Key:
WHKVTXVQZDMPFX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(COCCCCN(C)C)S
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.38g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.764g/mol
Monoisotopic Mass:
431.38g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
22.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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