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Home Carboxys methyl 1,1-dioxo-1lambda6-thiomorpholine-3-carboxylate hydrochloride

methyl 1,1-dioxo-1lambda6-thiomorpholine-3-carboxylate hydrochloride

CAS No.:
2137458-07-0
Catalog Number:
AG01EJ3P
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
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Product Description
Catalog Number:
AG01EJ3P
Chemical Name:
methyl 1,1-dioxo-1lambda6-thiomorpholine-3-carboxylate hydrochloride
CAS Number:
2137458-07-0
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
MDL Number:
MFCD31558654
IUPAC Name:
methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate;hydrochloride
InChI:
InChI=1S/C6H11NO4S.ClH/c1-11-6(8)5-4-12(9,10)3-2-7-5;/h5,7H,2-4H2,1H3;1H
InChI Key:
DSTXORXRAVFIDY-UHFFFAOYSA-N
SMILES:
COC(=O)C1NCCS(=O)(=O)C1.Cl
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.018g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.675g/mol
Monoisotopic Mass:
229.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties