5-methoxy-1,3-benzothiazole 1-oxide

C8H7NO2S — CID 139606231

IUPAC5-methoxy-1,3-benzothiazole 1-oxide
SMILESCOc1ccc2c(c1)N=CS2=O
InChIInChI=1S/C8H7NO2S/c1-11-6-2-3-8-7(4-6)9-5-12(8)10/h2-5H,1H3
InChIKeyFRCSCYPTWREXJE-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.48
Rot. Bonds1

About 5-methoxy-1,3-benzothiazole 1-oxide

5-methoxy-1,3-benzothiazole 1-oxide (PubChem CID 139606231) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methoxy-1,3-benzothiazole 1-oxide.

Molecular Properties

Compound Name5-methoxy-1,3-benzothiazole 1-oxide
PubChem CID139606231
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name5-methoxy-1,3-benzothiazole 1-oxide
SMILESCOc1ccc2c(c1)N=CS2=O
InChIInChI=1S/C8H7NO2S/c1-11-6-2-3-8-7(4-6)9-5-12(8)10/h2-5H,1H3
InChIKeyFRCSCYPTWREXJE-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-chloro-5-methoxy-1-oxo-1-benzothiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-benzothiazole 1-oxide?
The IUPAC name of 5-methoxy-1,3-benzothiazole 1-oxide (CID 139606231) is 5-methoxy-1,3-benzothiazole 1-oxide.
What is the SMILES notation for 5-methoxy-1,3-benzothiazole 1-oxide?
The canonical SMILES for 5-methoxy-1,3-benzothiazole 1-oxide is COc1ccc2c(c1)N=CS2=O.
What is the InChIKey of 5-methoxy-1,3-benzothiazole 1-oxide?
The InChIKey is FRCSCYPTWREXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-11-6-2-3-8-7(4-6)9-5-12(8)10/h2-5H,1H3.
What are the key properties of 5-methoxy-1,3-benzothiazole 1-oxide?
5-methoxy-1,3-benzothiazole 1-oxide has a molecular weight of 181.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-benzothiazole 1-oxide is sourced from PubChem (CID 139606231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).