About 2,4-dimethyl-1,4-benzothiazin-3-one
2,4-dimethyl-1,4-benzothiazin-3-one (PubChem CID 12954903) has the molecular formula C10H11NOS
and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,4-dimethyl-1,4-benzothiazin-3-one.
Molecular Properties
| Compound Name | 2,4-dimethyl-1,4-benzothiazin-3-one |
|---|
| PubChem CID | 12954903 |
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| Molecular Formula | C10H11NOS |
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| Molecular Weight | 193.27 g/mol |
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| Exact Mass | 193.06 |
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| IUPAC Name | 2,4-dimethyl-1,4-benzothiazin-3-one |
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| SMILES | CC1Sc2ccccc2N(C)C1=O |
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| InChI | InChI=1S/C10H11NOS/c1-7-10(12)11(2)8-5-3-4-6-9(8)13-7/h3-7H,1-2H3 |
|---|
| InChIKey | ZABAFNWSGGODBX-UHFFFAOYSA-N |
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| XLogP | 2.14 |
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| TPSA | 20.31 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 193.27 |
| LogP ≤ 5 | 2.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,4-dimethyl-1,4-benzothiazin-3-one?
The IUPAC name of 2,4-dimethyl-1,4-benzothiazin-3-one (CID 12954903) is 2,4-dimethyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 2,4-dimethyl-1,4-benzothiazin-3-one?
The canonical SMILES for 2,4-dimethyl-1,4-benzothiazin-3-one is CC1Sc2ccccc2N(C)C1=O.
What is the InChIKey of 2,4-dimethyl-1,4-benzothiazin-3-one?
The InChIKey is ZABAFNWSGGODBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-10(12)11(2)8-5-3-4-6-9(8)13-7/h3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-1,4-benzothiazin-3-one?
2,4-dimethyl-1,4-benzothiazin-3-one has a molecular weight of 193.27 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 12954903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).