Home Carboxys Methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate

Methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate

CAS No.:
4160-61-6
Catalog Number:
AG0039RT
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$63
- +
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0039RT
Chemical Name:
Methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate
CAS Number:
4160-61-6
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
MDL Number:
MFCD00203485
IUPAC Name:
methyl 4-oxothiane-3-carboxylate
InChI:
InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChI Key:
MCUXKFHPGMEIIW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSCCC1=O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.214g/mol
Monoisotopic Mass:
174.035g/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  
Properties