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113855-03-1 | 3-Thiomorpholinone, 4-dodecyl-
CAS No: 113855-03-1 Catalog No: AG0009XL MDL No:
Product Description
Catalog Number:
AG0009XL
Chemical Name:
3-Thiomorpholinone, 4-dodecyl-
CAS Number:
113855-03-1
Molecular Formula:
C16H31NOS
Molecular Weight:
285.4884
IUPAC Name:
4-dodecylthiomorpholin-3-one
InChI:
InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19-15-16(17)18/h2-15H2,1H3
InChI Key:
ULPYIUHHOKUHON-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CCSCC1=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.213g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.49g/mol
Monoisotopic Mass:
285.213g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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