4H-1,3-benzothiazin-6-ol

C8H7NOS — CID 57141293

IUPAC4H-1,3-benzothiazin-6-ol
SMILESOc1ccc2c(c1)CN=CS2
InChIInChI=1S/C8H7NOS/c10-7-1-2-8-6(3-7)4-9-5-11-8/h1-3,5,10H,4H2
InChIKeyDMQDNVHUJRRHEX-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.03
Rot. Bonds

About 4H-1,3-benzothiazin-6-ol

4H-1,3-benzothiazin-6-ol (PubChem CID 57141293) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 4H-1,3-benzothiazin-6-ol.

Molecular Properties

Compound Name4H-1,3-benzothiazin-6-ol
PubChem CID57141293
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name4H-1,3-benzothiazin-6-ol
SMILESOc1ccc2c(c1)CN=CS2
InChIInChI=1S/C8H7NOS/c10-7-1-2-8-6(3-7)4-9-5-11-8/h1-3,5,10H,4H2
InChIKeyDMQDNVHUJRRHEX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-1,3-benzothiazin-6-ol?
The IUPAC name of 4H-1,3-benzothiazin-6-ol (CID 57141293) is 4H-1,3-benzothiazin-6-ol.
What is the SMILES notation for 4H-1,3-benzothiazin-6-ol?
The canonical SMILES for 4H-1,3-benzothiazin-6-ol is Oc1ccc2c(c1)CN=CS2.
What is the InChIKey of 4H-1,3-benzothiazin-6-ol?
The InChIKey is DMQDNVHUJRRHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-7-1-2-8-6(3-7)4-9-5-11-8/h1-3,5,10H,4H2.
What are the key properties of 4H-1,3-benzothiazin-6-ol?
4H-1,3-benzothiazin-6-ol has a molecular weight of 165.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3-benzothiazin-6-ol is sourced from PubChem (CID 57141293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).