7-methyl-4H-1,4-benzothiazin-3-one

C9H9NOS — CID 689104

IUPAC7-methyl-4H-1,4-benzothiazin-3-one
SMILESCc1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyODJQMWDFNLNCTM-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.04
Rot. Bonds

About 7-methyl-4H-1,4-benzothiazin-3-one

7-methyl-4H-1,4-benzothiazin-3-one (PubChem CID 689104) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 7-methyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-methyl-4H-1,4-benzothiazin-3-one
PubChem CID689104
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name7-methyl-4H-1,4-benzothiazin-3-one
SMILESCc1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyODJQMWDFNLNCTM-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-methyl-4H-1,4-benzothiazin-3-one (CID 689104) is 7-methyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-methyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-methyl-4H-1,4-benzothiazin-3-one is Cc1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of 7-methyl-4H-1,4-benzothiazin-3-one?
The InChIKey is ODJQMWDFNLNCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 7-methyl-4H-1,4-benzothiazin-3-one?
7-methyl-4H-1,4-benzothiazin-3-one has a molecular weight of 179.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 689104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).