6-methoxy-1,3-benzothiazole 1,1-dioxide

C8H7NO3S — CID 140984987

IUPAC6-methoxy-1,3-benzothiazole 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)C=N2
InChIInChI=1S/C8H7NO3S/c1-12-6-2-3-7-8(4-6)13(10,11)5-9-7/h2-5H,1H3
InChIKeyITNWCJOBAFLJRT-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.14
Rot. Bonds1

About 6-methoxy-1,3-benzothiazole 1,1-dioxide

6-methoxy-1,3-benzothiazole 1,1-dioxide (PubChem CID 140984987) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 6-methoxy-1,3-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name6-methoxy-1,3-benzothiazole 1,1-dioxide
PubChem CID140984987
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name6-methoxy-1,3-benzothiazole 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)C=N2
InChIInChI=1S/C8H7NO3S/c1-12-6-2-3-7-8(4-6)13(10,11)5-9-7/h2-5H,1H3
InChIKeyITNWCJOBAFLJRT-UHFFFAOYSA-N
XLogP1.14
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-benzothiazole 1,1-dioxide?
The IUPAC name of 6-methoxy-1,3-benzothiazole 1,1-dioxide (CID 140984987) is 6-methoxy-1,3-benzothiazole 1,1-dioxide.
What is the SMILES notation for 6-methoxy-1,3-benzothiazole 1,1-dioxide?
The canonical SMILES for 6-methoxy-1,3-benzothiazole 1,1-dioxide is COc1ccc2c(c1)S(=O)(=O)C=N2.
What is the InChIKey of 6-methoxy-1,3-benzothiazole 1,1-dioxide?
The InChIKey is ITNWCJOBAFLJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c1-12-6-2-3-7-8(4-6)13(10,11)5-9-7/h2-5H,1H3.
What are the key properties of 6-methoxy-1,3-benzothiazole 1,1-dioxide?
6-methoxy-1,3-benzothiazole 1,1-dioxide has a molecular weight of 197.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-benzothiazole 1,1-dioxide is sourced from PubChem (CID 140984987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).