2H-1,4-benzothiazin-7-ol

C8H7NOS — CID 70259300

IUPAC2H-1,4-benzothiazin-7-ol
SMILESOc1ccc2c(c1)SCC=N2
InChIInChI=1S/C8H7NOS/c10-6-1-2-7-8(5-6)11-4-3-9-7/h1-3,5,10H,4H2
InChIKeyPLEPNQXNXBCVKZ-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.20
Rot. Bonds

About 2H-1,4-benzothiazin-7-ol

2H-1,4-benzothiazin-7-ol (PubChem CID 70259300) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2H-1,4-benzothiazin-7-ol.

Molecular Properties

Compound Name2H-1,4-benzothiazin-7-ol
PubChem CID70259300
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2H-1,4-benzothiazin-7-ol
SMILESOc1ccc2c(c1)SCC=N2
InChIInChI=1S/C8H7NOS/c10-6-1-2-7-8(5-6)11-4-3-9-7/h1-3,5,10H,4H2
InChIKeyPLEPNQXNXBCVKZ-UHFFFAOYSA-N
XLogP2.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,4-benzothiazin-7-ol?
The IUPAC name of 2H-1,4-benzothiazin-7-ol (CID 70259300) is 2H-1,4-benzothiazin-7-ol.
What is the SMILES notation for 2H-1,4-benzothiazin-7-ol?
The canonical SMILES for 2H-1,4-benzothiazin-7-ol is Oc1ccc2c(c1)SCC=N2.
What is the InChIKey of 2H-1,4-benzothiazin-7-ol?
The InChIKey is PLEPNQXNXBCVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-6-1-2-7-8(5-6)11-4-3-9-7/h1-3,5,10H,4H2.
What are the key properties of 2H-1,4-benzothiazin-7-ol?
2H-1,4-benzothiazin-7-ol has a molecular weight of 165.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,4-benzothiazin-7-ol is sourced from PubChem (CID 70259300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).