Home Carboxys Methyl 3-oxotetrahydro-2H-thiopyran-2-carboxylate

Methyl 3-oxotetrahydro-2H-thiopyran-2-carboxylate

CAS No.:
38555-41-8
Catalog Number:
AG00CLDQ
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
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Product Description
Catalog Number:
AG00CLDQ
Chemical Name:
Methyl 3-oxotetrahydro-2H-thiopyran-2-carboxylate
CAS Number:
38555-41-8
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
MDL Number:
MFCD19688559
IUPAC Name:
methyl 3-oxothiane-2-carboxylate
InChI:
InChI=1S/C7H10O3S/c1-10-7(9)6-5(8)3-2-4-11-6/h6H,2-4H2,1H3
InChI Key:
CEDARSWTTYNIHA-UHFFFAOYSA-N
SMILES:
COC(=O)C1SCCCC1=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:
0.9  
Properties