About 2,2-dimethyl-3-methylidene-1,4-dithiane
2,2-dimethyl-3-methylidene-1,4-dithiane (PubChem CID 15304236) has the molecular formula C7H12S2
and a molecular weight of 160.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidene-1,4-dithiane.
Molecular Properties
| Compound Name | 2,2-dimethyl-3-methylidene-1,4-dithiane |
|---|
| PubChem CID | 15304236 |
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| Molecular Formula | C7H12S2 |
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| Molecular Weight | 160.31 g/mol |
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| Exact Mass | 160.04 |
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| IUPAC Name | 2,2-dimethyl-3-methylidene-1,4-dithiane |
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| SMILES | C=C1SCCSC1(C)C |
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| InChI | InChI=1S/C7H12S2/c1-6-7(2,3)9-5-4-8-6/h1,4-5H2,2-3H3 |
|---|
| InChIKey | DPEJQSVXUYHBQL-UHFFFAOYSA-N |
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| XLogP | 2.76 |
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| TPSA | 0.00 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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 160.31 |
| LogP ≤ 5 | 2.76 |
| 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-3-methylidene-1,4-dithiane?
The IUPAC name of 2,2-dimethyl-3-methylidene-1,4-dithiane (CID 15304236) is 2,2-dimethyl-3-methylidene-1,4-dithiane.
What is the SMILES notation for 2,2-dimethyl-3-methylidene-1,4-dithiane?
The canonical SMILES for 2,2-dimethyl-3-methylidene-1,4-dithiane is C=C1SCCSC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylidene-1,4-dithiane?
The InChIKey is DPEJQSVXUYHBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2/c1-6-7(2,3)9-5-4-8-6/h1,4-5H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-methylidene-1,4-dithiane?
2,2-dimethyl-3-methylidene-1,4-dithiane has a molecular weight of 160.31 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidene-1,4-dithiane is sourced from PubChem (CID 15304236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).