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14889-64-6 | 2H-1,3-Thiazin-2-one, tetrahydro-
CAS No: 14889-64-6 Catalog No: AG001L9G MDL No:MFCD18447809
Product Description
Catalog Number:
AG001L9G
Chemical Name:
2H-1,3-Thiazin-2-one, tetrahydro-
CAS Number:
14889-64-6
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
MDL Number:
MFCD18447809
IUPAC Name:
1,3-thiazinan-2-one
InChI:
InChI=1S/C4H7NOS/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)
InChI Key:
SZLJIZCLWIILLB-UHFFFAOYSA-N
SMILES:
O=C1NCCCS1
Properties
Complexity:
83.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Highly regioselective synthesis of tetrahydro-2H-1,3-thiazin-2-ones via rhodium-catalyzed carbonylation of N-alkylisothiazolidines. | Organic letters 20040930 |
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