Home Other Building Blocks 1,2,4-thiadiazinane-1,1-dione

1,2,4-thiadiazinane-1,1-dione

CAS No.:
38668-01-8
Catalog Number:
AG019ZSR
Molecular Formula:
C3H8N2O2S
Molecular Weight:
136.1728
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Product Description
Catalog Number:
AG019ZSR
Chemical Name:
1,2,4-thiadiazinane-1,1-dione
CAS Number:
38668-01-8
Molecular Formula:
C3H8N2O2S
Molecular Weight:
136.1728
MDL Number:
MFCD00865125
IUPAC Name:
1,2,4-thiadiazinane 1,1-dioxide
InChI:
InChI=1S/C3H8N2O2S/c6-8(7)2-1-4-3-5-8/h4-5H,1-3H2
InChI Key:
RJGYJMFQWGPBGM-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCNCN1
UNII:
LIX7OM008P
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.031g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
136.169g/mol
Monoisotopic Mass:
136.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Pharmacokinetics of taurolidine following repeated intravenous infusions measured by HPLC-ESI-MS/MS of the derivatives taurultame and taurinamide in glioblastoma patients. Clinical pharmacokinetics 20070101
Properties