2,3-dihydro-1,3-benzothiazin-4-one

C8H7NOS — CID 19706965

IUPAC2,3-dihydro-1,3-benzothiazin-4-one
SMILESO=C1NCSc2ccccc21
InChIInChI=1S/C8H7NOS/c10-8-6-3-1-2-4-7(6)11-5-9-8/h1-4H,5H2,(H,9,10)
InChIKeyPLGGWNRXUVCKEK-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.48
Rot. Bonds

About 2,3-dihydro-1,3-benzothiazin-4-one

2,3-dihydro-1,3-benzothiazin-4-one (PubChem CID 19706965) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2,3-dihydro-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2,3-dihydro-1,3-benzothiazin-4-one
PubChem CID19706965
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2,3-dihydro-1,3-benzothiazin-4-one
SMILESO=C1NCSc2ccccc21
InChIInChI=1S/C8H7NOS/c10-8-6-3-1-2-4-7(6)11-5-9-8/h1-4H,5H2,(H,9,10)
InChIKeyPLGGWNRXUVCKEK-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-benzothiazin-4-one?
The IUPAC name of 2,3-dihydro-1,3-benzothiazin-4-one (CID 19706965) is 2,3-dihydro-1,3-benzothiazin-4-one.
What is the SMILES notation for 2,3-dihydro-1,3-benzothiazin-4-one?
The canonical SMILES for 2,3-dihydro-1,3-benzothiazin-4-one is O=C1NCSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,3-benzothiazin-4-one?
The InChIKey is PLGGWNRXUVCKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-8-6-3-1-2-4-7(6)11-5-9-8/h1-4H,5H2,(H,9,10).
What are the key properties of 2,3-dihydro-1,3-benzothiazin-4-one?
2,3-dihydro-1,3-benzothiazin-4-one has a molecular weight of 165.22 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-benzothiazin-4-one is sourced from PubChem (CID 19706965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).