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7144-65-2 | 2,2,5-trimethylthiomorpholin-3-one
CAS No: 7144-65-2 Catalog No: AG005HSR MDL No:MFCD00046989
Product Description
Catalog Number:
AG005HSR
Chemical Name:
2,2,5-trimethylthiomorpholin-3-one
CAS Number:
7144-65-2
Molecular Formula:
C7H13NOS
Molecular Weight:
159.2492
MDL Number:
MFCD00046989
IUPAC Name:
2-[(2-phenylphenoxy)methyl]oxirane
InChI:
InChI=1S/C15H14O2/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)17-11-13-10-16-13/h1-9,13H,10-11H2
InChI Key:
DNVXWIINBUTFEP-UHFFFAOYSA-N
SMILES:
CC1CSC(C(=O)N1)(C)C
EC Number:
230-451-0
NSC Number:
52971
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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