6-methyl-2,1-benzothiazole 2,2-dioxide

C8H7NO2S — CID 170555206

IUPAC6-methyl-2,1-benzothiazole 2,2-dioxide
SMILESCc1ccc2c(c1)=NS(=O)(=O)C=2
InChIInChI=1S/C8H7NO2S/c1-6-2-3-7-5-12(10,11)9-8(7)4-6/h2-5H,1H3
InChIKeyNQGZMOYRAJFUQS-UHFFFAOYSA-N
MW181.22 g/mol
LogP-0.30
Rot. Bonds

About 6-methyl-2,1-benzothiazole 2,2-dioxide

6-methyl-2,1-benzothiazole 2,2-dioxide (PubChem CID 170555206) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 6-methyl-2,1-benzothiazole 2,2-dioxide.

Molecular Properties

Compound Name6-methyl-2,1-benzothiazole 2,2-dioxide
PubChem CID170555206
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name6-methyl-2,1-benzothiazole 2,2-dioxide
SMILESCc1ccc2c(c1)=NS(=O)(=O)C=2
InChIInChI=1S/C8H7NO2S/c1-6-2-3-7-5-12(10,11)9-8(7)4-6/h2-5H,1H3
InChIKeyNQGZMOYRAJFUQS-UHFFFAOYSA-N
XLogP-0.30
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,1-benzothiazole 2,2-dioxide?
The IUPAC name of 6-methyl-2,1-benzothiazole 2,2-dioxide (CID 170555206) is 6-methyl-2,1-benzothiazole 2,2-dioxide.
What is the SMILES notation for 6-methyl-2,1-benzothiazole 2,2-dioxide?
The canonical SMILES for 6-methyl-2,1-benzothiazole 2,2-dioxide is Cc1ccc2c(c1)=NS(=O)(=O)C=2.
What is the InChIKey of 6-methyl-2,1-benzothiazole 2,2-dioxide?
The InChIKey is NQGZMOYRAJFUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-6-2-3-7-5-12(10,11)9-8(7)4-6/h2-5H,1H3.
What are the key properties of 6-methyl-2,1-benzothiazole 2,2-dioxide?
6-methyl-2,1-benzothiazole 2,2-dioxide has a molecular weight of 181.22 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,1-benzothiazole 2,2-dioxide is sourced from PubChem (CID 170555206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).