Home Carboxys Methyl 3-oxotetrahydrothiophene-2-carboxylate

Methyl 3-oxotetrahydrothiophene-2-carboxylate

CAS No.:
2689-69-2
Catalog Number:
AG003RTB
Molecular Formula:
C6H8O3S
Molecular Weight:
160.1909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97+%
In Stock USA
United States
$276
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Product Description
Catalog Number:
AG003RTB
Chemical Name:
Methyl 3-oxotetrahydrothiophene-2-carboxylate
CAS Number:
2689-69-2
Molecular Formula:
C6H8O3S
Molecular Weight:
160.1909
MDL Number:
MFCD00156156
IUPAC Name:
methyl 3-oxothiolane-2-carboxylate
InChI:
InChI=1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3
InChI Key:
TUSSXVYKOOVOID-UHFFFAOYSA-N
SMILES:
COC(=O)C1SCCC1=O
EC Number:
220-257-4
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.187g/mol
Monoisotopic Mass:
160.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Synthesis and anti-human immunodeficiency virus activity of 4'-branched (+/-)-4'-thiostavudines. Journal of medicinal chemistry 20061228
Properties