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26366-98-3 | 2H-1,3,5-Thiadiazine-2-thione, 5-dodecyltetrahydro-3-(2-phenylethyl)-
CAS No: 26366-98-3 Catalog No: AG002SVO MDL No:
Product Description
Catalog Number:
AG002SVO
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 5-dodecyltetrahydro-3-(2-phenylethyl)-
CAS Number:
26366-98-3
Molecular Formula:
C23H38N2S2
Molecular Weight:
406.6912
IUPAC Name:
5-dodecyl-3-(2-phenylethyl)-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C23H38N2S2/c1-2-3-4-5-6-7-8-9-10-14-18-24-20-25(23(26)27-21-24)19-17-22-15-12-11-13-16-22/h11-13,15-16H,2-10,14,17-21H2,1H3
InChI Key:
ATFNXUXRJLDMCT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CSC(=S)N(C1)CCc1ccccc1
Properties
Complexity:
383
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:
3
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:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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