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1003-42-5,MFCD22054117
Catalog No.:AA0001FU
1003-42-5 | 2H-Thiopyran-2-one, tetrahydro-
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100mg
95.0%
3 weeks  
$342.00
- +
250mg
95.0%
3 weeks  
$474.00
- +
500mg
95.0%
3 weeks  
$876.00
- +
1g
95.0%
3 weeks  
$1,114.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001FU
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
Computed 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  

Synonyms
 
Thian-2-one 
1003-42-5 
AKOS030537831 
Z2754447865 
CID10953473 
tetrahydrothiopyran-2-one 
Tetrahydro-2H-thiopyran-2-one 
2H-Thiopyran-2-one, tetrahydro- 
2-thiacyclohexanone 
SCHEMBL1024355 
CTK0G8917 
DTXSID20449477 
ZINC13532942 
Literature

Title: Thiopyran route to polypropionates: exploiting and overcoming double stereodifferentiation and mutual kinetic enantioselection in aldol couplings of chiral fragments.

Journal: The Journal of organic chemistry 20070302

Title: Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution.

Journal: Organic letters 20050317

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