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1003-42-5 | 2H-Thiopyran-2-one, tetrahydro-
CAS No: 1003-42-5 Catalog No: AG0001IM MDL No:MFCD22054117
Product Description
Catalog Number:
AG0001IM
Chemical Name:
2H-Thiopyran-2-one, tetrahydro-
CAS Number:
1003-42-5
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD22054117
IUPAC Name:
thian-2-one
InChI:
InChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h1-4H2
InChI Key:
CFFCKUISNHPWOW-UHFFFAOYSA-N
SMILES:
O=C1CCCCS1
Properties
Complexity:
80.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Thiopyran route to polypropionates: exploiting and overcoming double stereodifferentiation and mutual kinetic enantioselection in aldol couplings of chiral fragments. | The Journal of organic chemistry 20070302 |
| Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution. | Organic letters 20050317 |
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