Home Other Building Blocks 3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione

3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione

CAS No.:
7117-28-4
Catalog Number:
AG01C5Z3
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
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Product Description
Catalog Number:
AG01C5Z3
Chemical Name:
3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS Number:
7117-28-4
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD18325052
IUPAC Name:
2,2-dioxo-1H-2λ6,1-benzothiazin-4-one
InChI:
InChI=1S/C8H7NO3S/c10-8-5-13(11,12)9-7-4-2-1-3-6(7)8/h1-4,9H,5H2
InChI Key:
SVNSPVBUFSWFTG-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)Nc2c1cccc2
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties