8-hydroxy-4H-1,4-benzothiazin-3-one

C8H7NO2S — CID 14895651

IUPAC8-hydroxy-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2c(O)cccc2N1
InChIInChI=1S/C8H7NO2S/c10-6-3-1-2-5-8(6)12-4-7(11)9-5/h1-3,10H,4H2,(H,9,11)
InChIKeyHHSNRRCSRPQQNP-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.44
Rot. Bonds

About 8-hydroxy-4H-1,4-benzothiazin-3-one

8-hydroxy-4H-1,4-benzothiazin-3-one (PubChem CID 14895651) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 8-hydroxy-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name8-hydroxy-4H-1,4-benzothiazin-3-one
PubChem CID14895651
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name8-hydroxy-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2c(O)cccc2N1
InChIInChI=1S/C8H7NO2S/c10-6-3-1-2-5-8(6)12-4-7(11)9-5/h1-3,10H,4H2,(H,9,11)
InChIKeyHHSNRRCSRPQQNP-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4H-1,4-benzothiazin-3-one?
The IUPAC name of 8-hydroxy-4H-1,4-benzothiazin-3-one (CID 14895651) is 8-hydroxy-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 8-hydroxy-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 8-hydroxy-4H-1,4-benzothiazin-3-one is O=C1CSc2c(O)cccc2N1.
What is the InChIKey of 8-hydroxy-4H-1,4-benzothiazin-3-one?
The InChIKey is HHSNRRCSRPQQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-6-3-1-2-5-8(6)12-4-7(11)9-5/h1-3,10H,4H2,(H,9,11).
What are the key properties of 8-hydroxy-4H-1,4-benzothiazin-3-one?
8-hydroxy-4H-1,4-benzothiazin-3-one has a molecular weight of 181.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 14895651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).