Home Carboxys 3-amino-1,1-dioxo-1lambda6-thiane-3-carboxylic acid hydrochloride

3-amino-1,1-dioxo-1lambda6-thiane-3-carboxylic acid hydrochloride

CAS No.:
1803561-91-2
Catalog Number:
AG01AM66
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
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Product Description
Catalog Number:
AG01AM66
Chemical Name:
3-amino-1,1-dioxo-1lambda6-thiane-3-carboxylic acid hydrochloride
CAS Number:
1803561-91-2
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
MDL Number:
MFCD28968377
IUPAC Name:
3-amino-1,1-dioxothiane-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H11NO4S.ClH/c7-6(5(8)9)2-1-3-12(10,11)4-6;/h1-4,7H2,(H,8,9);1H
InChI Key:
AFSNRAWWCZNLSK-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCCS(=O)(=O)C1.Cl
Properties
Complexity:
291  
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:
1  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties