3-methyl-1,3-benzothiazine-2,4-dione

C9H7NO2S — CID 11458209

IUPAC3-methyl-1,3-benzothiazine-2,4-dione
SMILESCn1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C9H7NO2S/c1-10-8(11)6-4-2-3-5-7(6)13-9(10)12/h2-5H,1H3
InChIKeySXKWTESFUNKJMK-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.96
Rot. Bonds

About 3-methyl-1,3-benzothiazine-2,4-dione

3-methyl-1,3-benzothiazine-2,4-dione (PubChem CID 11458209) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-methyl-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,3-benzothiazine-2,4-dione
PubChem CID11458209
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name3-methyl-1,3-benzothiazine-2,4-dione
SMILESCn1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C9H7NO2S/c1-10-8(11)6-4-2-3-5-7(6)13-9(10)12/h2-5H,1H3
InChIKeySXKWTESFUNKJMK-UHFFFAOYSA-N
XLogP0.96
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-benzothiazine-2,4-dione?
The IUPAC name of 3-methyl-1,3-benzothiazine-2,4-dione (CID 11458209) is 3-methyl-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 3-methyl-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 3-methyl-1,3-benzothiazine-2,4-dione is Cn1c(=O)sc2ccccc2c1=O.
What is the InChIKey of 3-methyl-1,3-benzothiazine-2,4-dione?
The InChIKey is SXKWTESFUNKJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-10-8(11)6-4-2-3-5-7(6)13-9(10)12/h2-5H,1H3.
What are the key properties of 3-methyl-1,3-benzothiazine-2,4-dione?
3-methyl-1,3-benzothiazine-2,4-dione has a molecular weight of 193.23 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 11458209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).