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

C8H9NO2S — CID 89335308

IUPAC4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1cccc2c1CNS2(=O)=O
InChIInChI=1S/C8H9NO2S/c1-6-3-2-4-8-7(6)5-9-12(8,10)11/h2-4,9H,5H2,1H3
InChIKeyINTDJGHPZYNUOM-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.79
Rot. Bonds

About 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 89335308) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID89335308
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1cccc2c1CNS2(=O)=O
InChIInChI=1S/C8H9NO2S/c1-6-3-2-4-8-7(6)5-9-12(8,10)11/h2-4,9H,5H2,1H3
InChIKeyINTDJGHPZYNUOM-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 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 89335308) is 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is Cc1cccc2c1CNS2(=O)=O.
What is the InChIKey of 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is INTDJGHPZYNUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-6-3-2-4-8-7(6)5-9-12(8,10)11/h2-4,9H,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
4-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 4-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 89335308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).