Home Other Building Blocks 2-(1,1-dioxido-1,2-thiazinan-2-yl)acetic acid

2-(1,1-dioxido-1,2-thiazinan-2-yl)acetic acid

CAS No.:
89676-96-0
Catalog Number:
AG01BHXT
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
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Product Description
Catalog Number:
AG01BHXT
Chemical Name:
2-(1,1-dioxido-1,2-thiazinan-2-yl)acetic acid
CAS Number:
89676-96-0
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
MDL Number:
MFCD11053207
IUPAC Name:
2-(1,1-dioxothiazinan-2-yl)acetic acid
InChI:
InChI=1S/C6H11NO4S/c8-6(9)5-7-3-1-2-4-12(7,10)11/h1-5H2,(H,8,9)
InChI Key:
HQKJYAGNQSMRJK-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCCS1(=O)=O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.217g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties