2-methyl-1λ4,2,3-benzothiadiazine 1-oxide

C8H8N2OS — CID 67786149

IUPAC2-methyl-1λ4,2,3-benzothiadiazine 1-oxide
SMILESCN1N=Cc2ccccc2S1=O
InChIInChI=1S/C8H8N2OS/c1-10-9-6-7-4-2-3-5-8(7)12(10)11/h2-6H,1H3
InChIKeyIJNOZYSIBZXTOU-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.99
Rot. Bonds

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

2-methyl-1λ4,2,3-benzothiadiazine 1-oxide (PubChem CID 67786149) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide.

Molecular Properties

Compound Name2-methyl-1λ4,2,3-benzothiadiazine 1-oxide
PubChem CID67786149
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-methyl-1λ4,2,3-benzothiadiazine 1-oxide
SMILESCN1N=Cc2ccccc2S1=O
InChIInChI=1S/C8H8N2OS/c1-10-9-6-7-4-2-3-5-8(7)12(10)11/h2-6H,1H3
InChIKeyIJNOZYSIBZXTOU-UHFFFAOYSA-N
XLogP0.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide?
The IUPAC name of 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide (CID 67786149) is 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide.
What is the SMILES notation for 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide?
The canonical SMILES for 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide is CN1N=Cc2ccccc2S1=O.
What is the InChIKey of 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide?
The InChIKey is IJNOZYSIBZXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-10-9-6-7-4-2-3-5-8(7)12(10)11/h2-6H,1H3.
What are the key properties of 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide?
2-methyl-1λ4,2,3-benzothiadiazine 1-oxide has a molecular weight of 180.23 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1λ4,2,3-benzothiadiazine 1-oxide is sourced from PubChem (CID 67786149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).