Home Other Building Blocks 2-(1,1-dioxo-1lambda6-thiomorpholin-3-yl)acetic acid hydrochloride

2-(1,1-dioxo-1lambda6-thiomorpholin-3-yl)acetic acid hydrochloride

CAS No.:
1384429-47-3
Catalog Number:
AG019Z3R
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
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Product Description
Catalog Number:
AG019Z3R
Chemical Name:
2-(1,1-dioxo-1lambda6-thiomorpholin-3-yl)acetic acid hydrochloride
CAS Number:
1384429-47-3
Molecular Formula:
C6H12ClNO4S
Molecular Weight:
229.6818
MDL Number:
MFCD22369835
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-3-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C6H11NO4S.ClH/c8-6(9)3-5-4-12(10,11)2-1-7-5;/h5,7H,1-4H2,(H,8,9);1H
InChI Key:
ZYWBEYIQCPUMIY-UHFFFAOYSA-N
SMILES:
OC(=O)CC1NCCS(=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:
2  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties