Home Carboxys N-(carboxymethyl)-1,1-dioxo-1lambda6-thiolan-3-aminium chloride

N-(carboxymethyl)-1,1-dioxo-1lambda6-thiolan-3-aminium chloride

CAS No.:
1093123-73-9
Catalog Number:
AG01C4K8
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
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Product Description
Catalog Number:
AG01C4K8
Chemical Name:
N-(carboxymethyl)-1,1-dioxo-1lambda6-thiolan-3-aminium chloride
CAS Number:
1093123-73-9
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
MDL Number:
MFCD00456684
IUPAC Name:
2-[(1,1-dioxothiolan-3-yl)amino]acetic acid;hydrochloride
InChI:
InChI=1S/C6H11NO4S.ClH/c8-6(9)3-7-5-1-2-12(10,11)4-5;/h5,7H,1-4H2,(H,8,9);1H
InChI Key:
BQOGPKYVTQMVRQ-UHFFFAOYSA-N
SMILES:
OC(=O)CNC1CCS(=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:
3  
Isotope Atom Count:
0
Molecular Weight:
229.675g/mol
Monoisotopic Mass:
229.018g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties