Home Other Building Blocks Ethyl 2-((2-oxopropyl)thio)acetate

Ethyl 2-((2-oxopropyl)thio)acetate

CAS No.:
64878-05-3
Catalog Number:
AG00E9TU
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$203
- +
5g
1 week
United States
$564
- +
Product Description
Catalog Number:
AG00E9TU
Chemical Name:
Ethyl 2-((2-oxopropyl)thio)acetate
CAS Number:
64878-05-3
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
MDL Number:
MFCD00048567
IUPAC Name:
ethyl 2-(2-oxopropylsulfanyl)acetate
InChI:
InChI=1S/C7H12O3S/c1-3-10-7(9)5-11-4-6(2)8/h3-5H2,1-2H3
InChI Key:
JFBLCFNTJOTSJH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSCC(=O)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.23g/mol
Monoisotopic Mass:
176.051g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties