2H-1λ4,2,3-benzothiadiazine 1-oxide

C7H6N2OS — CID 66587390

IUPAC2H-1λ4,2,3-benzothiadiazine 1-oxide
SMILESO=S1NN=Cc2ccccc21
InChIInChI=1S/C7H6N2OS/c10-11-7-4-2-1-3-6(7)5-8-9-11/h1-5,9H
InChIKeyREEXLQXWNOSJKO-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.65
Rot. Bonds

About 2H-1λ4,2,3-benzothiadiazine 1-oxide

2H-1λ4,2,3-benzothiadiazine 1-oxide (PubChem CID 66587390) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 2H-1λ4,2,3-benzothiadiazine 1-oxide.

Molecular Properties

Compound Name2H-1λ4,2,3-benzothiadiazine 1-oxide
PubChem CID66587390
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name2H-1λ4,2,3-benzothiadiazine 1-oxide
SMILESO=S1NN=Cc2ccccc21
InChIInChI=1S/C7H6N2OS/c10-11-7-4-2-1-3-6(7)5-8-9-11/h1-5,9H
InChIKeyREEXLQXWNOSJKO-UHFFFAOYSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1λ4,2,3-benzothiadiazine 1-oxide?
The IUPAC name of 2H-1λ4,2,3-benzothiadiazine 1-oxide (CID 66587390) is 2H-1λ4,2,3-benzothiadiazine 1-oxide.
What is the SMILES notation for 2H-1λ4,2,3-benzothiadiazine 1-oxide?
The canonical SMILES for 2H-1λ4,2,3-benzothiadiazine 1-oxide is O=S1NN=Cc2ccccc21.
What is the InChIKey of 2H-1λ4,2,3-benzothiadiazine 1-oxide?
The InChIKey is REEXLQXWNOSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-11-7-4-2-1-3-6(7)5-8-9-11/h1-5,9H.
What are the key properties of 2H-1λ4,2,3-benzothiadiazine 1-oxide?
2H-1λ4,2,3-benzothiadiazine 1-oxide has a molecular weight of 166.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1λ4,2,3-benzothiadiazine 1-oxide is sourced from PubChem (CID 66587390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).