Home Carboxys 5,6-dihydro-2H-thiopyran-3-carboxylic acid

5,6-dihydro-2H-thiopyran-3-carboxylic acid

CAS No.:
172214-44-7
Catalog Number:
AG01AHMY
Molecular Formula:
C6H8O2S
Molecular Weight:
144.1915
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Product Description
Catalog Number:
AG01AHMY
Chemical Name:
5,6-dihydro-2H-thiopyran-3-carboxylic acid
CAS Number:
172214-44-7
Molecular Formula:
C6H8O2S
Molecular Weight:
144.1915
MDL Number:
MFCD19227910
IUPAC Name:
3,6-dihydro-2H-thiopyran-5-carboxylic acid
InChI:
InChI=1S/C6H8O2S/c7-6(8)5-2-1-3-9-4-5/h2H,1,3-4H2,(H,7,8)
InChI Key:
FCNJYUNCJRAREJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCCSC1
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.188g/mol
Monoisotopic Mass:
144.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties