Home Carboxys Methyl 4-oxotetrahydrothiophene-3-carboxylate

Methyl 4-oxotetrahydrothiophene-3-carboxylate

CAS No.:
2689-68-1
Catalog Number:
AG0035UH
Molecular Formula:
C6H8O3S
Molecular Weight:
160.1909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$263
- +
25g
98%
In Stock USA
United States
$525
- +
100g
98%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG0035UH
Chemical Name:
Methyl 4-oxotetrahydrothiophene-3-carboxylate
CAS Number:
2689-68-1
Molecular Formula:
C6H8O3S
Molecular Weight:
160.1909
MDL Number:
MFCD00052381
IUPAC Name:
methyl 4-oxothiolane-3-carboxylate
InChI:
InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChI Key:
LEAKUJFYXNILRB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSCC1=O
EC Number:
220-256-9
NSC Number:
127560
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  
Properties