Home Other Building Blocks methyl 2-oxo-2-(thian-4-yl)acetate

methyl 2-oxo-2-(thian-4-yl)acetate

CAS No.:
1803584-47-5
Catalog Number:
AG01AL7G
Molecular Formula:
C8H12O3S
Molecular Weight:
188.2441
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AL7G
Chemical Name:
methyl 2-oxo-2-(thian-4-yl)acetate
CAS Number:
1803584-47-5
Molecular Formula:
C8H12O3S
Molecular Weight:
188.2441
MDL Number:
MFCD28954272
IUPAC Name:
methyl 2-oxo-2-(thian-4-yl)acetate
InChI:
InChI=1S/C8H12O3S/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6H,2-5H2,1H3
InChI Key:
NXCCTEDQPBUXDN-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C1CCSCC1
Properties
Complexity:
185  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties