Home Carboxys Ethyl 4-oxo-tetrahydro-3-thiopyrancarboxylate

Ethyl 4-oxo-tetrahydro-3-thiopyrancarboxylate

CAS No.:
1198-44-3
Catalog Number:
AG000PNV
Molecular Formula:
C8H12O3S
Molecular Weight:
188.2441
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$170
- +
1g
97%
1 week
United States
$344
- +
5g
97%
1 week
United States
$1385
- +
Product Description
Catalog Number:
AG000PNV
Chemical Name:
Ethyl 4-oxo-tetrahydro-3-thiopyrancarboxylate
CAS Number:
1198-44-3
Molecular Formula:
C8H12O3S
Molecular Weight:
188.2441
MDL Number:
MFCD00040797
IUPAC Name:
ethyl 4-oxothiane-3-carboxylate
InChI:
InChI=1S/C8H12O3S/c1-2-11-8(10)6-5-12-4-3-7(6)9/h6H,2-5H2,1H3
InChI Key:
FXADJIANKOBZGT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CSCCC1=O
NSC Number:
84522
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.241g/mol
Monoisotopic Mass:
188.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties