5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide

C8H9NO2S — CID 67694889

IUPAC5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide
SMILESCOc1ccc2c(c1)NCS2=O
InChIInChI=1S/C8H9NO2S/c1-11-6-2-3-8-7(4-6)9-5-12(8)10/h2-4,9H,5H2,1H3
InChIKeyJXTKCSNQRPJVKX-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.19
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide

5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide (PubChem CID 67694889) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide
PubChem CID67694889
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide
SMILESCOc1ccc2c(c1)NCS2=O
InChIInChI=1S/C8H9NO2S/c1-11-6-2-3-8-7(4-6)9-5-12(8)10/h2-4,9H,5H2,1H3
InChIKeyJXTKCSNQRPJVKX-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide?
The IUPAC name of 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide (CID 67694889) is 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide?
The canonical SMILES for 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide is COc1ccc2c(c1)NCS2=O.
What is the InChIKey of 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide?
The InChIKey is JXTKCSNQRPJVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-6-2-3-8-7(4-6)9-5-12(8)10/h2-4,9H,5H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide?
5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide has a molecular weight of 183.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1,3-benzothiazole 1-oxide is sourced from PubChem (CID 67694889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).