2,2-Dimethylthietane
CNP0181332.0 · C5H10S · View on COCONUT ↗
Identifiers
| Name | 2,2-Dimethylthietane |
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| IUPAC Name | 2,2-dimethylthietane |
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| COCONUT ID | CNP0181332.0 |
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| CAS | 55022-72-5 |
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| InChIKey | OJMSFYDWZDKGJI-UHFFFAOYSA-N |
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| InChI | InChI=1S/C5H10S/c1-5(2)3-4-6-5/h3-4H2,1-2H3 |
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| SMILES | CC1(C)CCS1 |
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Properties
| Molecular Formula | C5H10S |
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| Molecular Weight | 102.20 |
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| Exact Mass | 102.05032 |
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| Log P (ALogP) | 1.90 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.45 |
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| NP-likeness | 0.26 |
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Classification
| NP Pathway | |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Thietanes |
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| Chemical Subclass | Thietanes |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
