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88988-02-7 | 3-Thiomorpholinone, 2-tridecyl-
CAS No: 88988-02-7 Catalog No: AG00467O MDL No:
Product Description
Catalog Number:
AG00467O
Chemical Name:
3-Thiomorpholinone, 2-tridecyl-
CAS Number:
88988-02-7
Molecular Formula:
C17H33NOS
Molecular Weight:
299.5150
IUPAC Name:
2-tridecylthiomorpholin-3-one
InChI:
InChI=1S/C17H33NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(19)18-14-15-20-16/h16H,2-15H2,1H3,(H,18,19)
InChI Key:
JEKVCZXRNRIODG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC1SCCNC1=O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.228g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.517g/mol
Monoisotopic Mass:
299.228g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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