Home Carboxys methyl 3-oxothiomorpholine-2-carboxylate

methyl 3-oxothiomorpholine-2-carboxylate

CAS No.:
1795304-62-9
Catalog Number:
AG01BEHI
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
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Product Description
Catalog Number:
AG01BEHI
Chemical Name:
methyl 3-oxothiomorpholine-2-carboxylate
CAS Number:
1795304-62-9
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
MDL Number:
MFCD28064016
IUPAC Name:
methyl 3-oxothiomorpholine-2-carboxylate
InChI:
InChI=1S/C6H9NO3S/c1-10-6(9)4-5(8)7-2-3-11-4/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
BFQLAHSIADMJAG-UHFFFAOYSA-N
SMILES:
COC(=O)C1SCCNC1=O
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.202g/mol
Monoisotopic Mass:
175.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties