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Home Other Building Blocks 2H-Thiopyran-2-one, tetrahydro-

2H-Thiopyran-2-one, tetrahydro-

CAS No.:
1003-42-5
Catalog Number:
AG0001IM
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
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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
Properties