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88987-96-6 | 3-Thiomorpholinone, 2-heptyl-
CAS No: 88987-96-6 Catalog No: AG0045JT MDL No:
Product Description
Catalog Number:
AG0045JT
Chemical Name:
3-Thiomorpholinone, 2-heptyl-
CAS Number:
88987-96-6
Molecular Formula:
C11H21NOS
Molecular Weight:
215.3555
IUPAC Name:
2-heptylthiomorpholin-3-one
InChI:
InChI=1S/C11H21NOS/c1-2-3-4-5-6-7-10-11(13)12-8-9-14-10/h10H,2-9H2,1H3,(H,12,13)
InChI Key:
JWSAVCBWTLHZAL-UHFFFAOYSA-N
SMILES:
CCCCCCCC1SCCNC1=O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.134g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.355g/mol
Monoisotopic Mass:
215.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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