About 2,2-dimethyl-1,4-benzothiazine
2,2-dimethyl-1,4-benzothiazine (PubChem CID 15273223) has the molecular formula C10H11NS
and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-benzothiazine.
Molecular Properties
| Compound Name | 2,2-dimethyl-1,4-benzothiazine |
|---|
| PubChem CID | 15273223 |
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| Molecular Formula | C10H11NS |
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| Molecular Weight | 177.27 g/mol |
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| Exact Mass | 177.06 |
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| IUPAC Name | 2,2-dimethyl-1,4-benzothiazine |
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| SMILES | CC1(C)C=Nc2ccccc2S1 |
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| InChI | InChI=1S/C10H11NS/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3 |
|---|
| InChIKey | JSGVOCLSSCJUSO-UHFFFAOYSA-N |
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| XLogP | 3.27 |
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| TPSA | 12.36 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 | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 177.27 |
| LogP ≤ 5 | 3.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,2-dimethyl-1,4-benzothiazine?
The IUPAC name of 2,2-dimethyl-1,4-benzothiazine (CID 15273223) is 2,2-dimethyl-1,4-benzothiazine.
What is the SMILES notation for 2,2-dimethyl-1,4-benzothiazine?
The canonical SMILES for 2,2-dimethyl-1,4-benzothiazine is CC1(C)C=Nc2ccccc2S1.
What is the InChIKey of 2,2-dimethyl-1,4-benzothiazine?
The InChIKey is JSGVOCLSSCJUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3.
What are the key properties of 2,2-dimethyl-1,4-benzothiazine?
2,2-dimethyl-1,4-benzothiazine has a molecular weight of 177.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-benzothiazine is sourced from PubChem (CID 15273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).