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88988-01-6 | 3-Thiomorpholinone, 2-dodecyl-
CAS No: 88988-01-6 Catalog No: AG00453W MDL No:
Product Description
Catalog Number:
AG00453W
Chemical Name:
3-Thiomorpholinone, 2-dodecyl-
CAS Number:
88988-01-6
Molecular Formula:
C16H31NOS
Molecular Weight:
285.4884
IUPAC Name:
2-dodecylthiomorpholin-3-one
InChI:
InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(18)17-13-14-19-15/h15H,2-14H2,1H3,(H,17,18)
InChI Key:
WYOGMVFABMEFBV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1SCCNC1=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:
1
Isotope Atom Count:
0
Molecular Weight:
285.49g/mol
Monoisotopic Mass:
285.213g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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