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88988-05-0 | 3-Thiomorpholinone, 2-heptadecyl-
CAS No: 88988-05-0 Catalog No: AG00467M MDL No:
Product Description
Catalog Number:
AG00467M
Chemical Name:
3-Thiomorpholinone, 2-heptadecyl-
CAS Number:
88988-05-0
Molecular Formula:
C21H41NOS
Molecular Weight:
355.6213
IUPAC Name:
2-heptadecylthiomorpholin-3-one
InChI:
InChI=1S/C21H41NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(23)22-18-19-24-20/h20H,2-19H2,1H3,(H,22,23)
InChI Key:
WDACCDNEYQVARH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC1SCCNC1=O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.291g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.625g/mol
Monoisotopic Mass:
355.291g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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