5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C8H9NO2S — CID 89034572

IUPAC5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1ccc2c(c1)CNS2(=O)=O
InChIInChI=1S/C8H9NO2S/c1-6-2-3-8-7(4-6)5-9-12(8,10)11/h2-4,9H,5H2,1H3
InChIKeyWVJDAMKIMYNHDG-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.79
Rot. Bonds

About 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 89034572) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID89034572
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1ccc2c(c1)CNS2(=O)=O
InChIInChI=1S/C8H9NO2S/c1-6-2-3-8-7(4-6)5-9-12(8,10)11/h2-4,9H,5H2,1H3
InChIKeyWVJDAMKIMYNHDG-UHFFFAOYSA-N
XLogP0.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 89034572) is 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is Cc1ccc2c(c1)CNS2(=O)=O.
What is the InChIKey of 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is WVJDAMKIMYNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-6-2-3-8-7(4-6)5-9-12(8,10)11/h2-4,9H,5H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 183.23 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 89034572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).