1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol

C8H9NO2S — CID 154875879

IUPAC1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol
SMILESCS1(=O)=NCc2cc(O)ccc21
InChIInChI=1S/C8H9NO2S/c1-12(11)8-3-2-7(10)4-6(8)5-9-12/h2-4,10H,5H2,1H3
InChIKeySRRHQGVMXNEDMW-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.36
Rot. Bonds

About 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol

1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol (PubChem CID 154875879) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol.

Molecular Properties

Compound Name1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol
PubChem CID154875879
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol
SMILESCS1(=O)=NCc2cc(O)ccc21
InChIInChI=1S/C8H9NO2S/c1-12(11)8-3-2-7(10)4-6(8)5-9-12/h2-4,10H,5H2,1H3
InChIKeySRRHQGVMXNEDMW-UHFFFAOYSA-N
XLogP1.36
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol?
The IUPAC name of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol (CID 154875879) is 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol.
What is the SMILES notation for 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol?
The canonical SMILES for 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol is CS1(=O)=NCc2cc(O)ccc21.
What is the InChIKey of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol?
The InChIKey is SRRHQGVMXNEDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-12(11)8-3-2-7(10)4-6(8)5-9-12/h2-4,10H,5H2,1H3.
What are the key properties of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol?
1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol has a molecular weight of 183.23 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol is sourced from PubChem (CID 154875879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).