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

C8H9NO2S — CID 12060921

IUPAC3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCC1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO2S/c1-6-7-4-2-3-5-8(7)12(10,11)9-6/h2-6,9H,1H3
InChIKeyWZOKMILQIPCVQJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.04
Rot. Bonds

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

3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 12060921) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID12060921
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCC1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO2S/c1-6-7-4-2-3-5-8(7)12(10,11)9-6/h2-6,9H,1H3
InChIKeyWZOKMILQIPCVQJ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 12060921) is 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is CC1NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is WZOKMILQIPCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-6-7-4-2-3-5-8(7)12(10,11)9-6/h2-6,9H,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 183.23 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 12060921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).