Isoprothiolane
A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale. — ChEBI
Safety documents & references
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Identity & molecular properties
Source-linked values| CAS number | 50512-35-1 | ChEBI ↗ |
| Molecular formula | C12H18O4S2 | ChEBI ↗ |
| Molar mass | 290.406 g/mol | ChEBI ↗ |
| Monoisotopic mass | 290.06465 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:6047 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 290.4 g/mol | PubChem ↗ |
| Exact mass | 290.06465140 Da | PubChem ↗ |
| Computed XLogP | 3.3 | PubChem ↗ |
| Topological polar surface area (Ų) | 103 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 6 | PubChem ↗ |
| Rotatable bonds | 6 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierisoprothiolanedi(propan-2-yl) 1,3-dithiolan-2-ylidenemalonateUFHLMYOGRXOCSL-UHFFFAOYSA-NCC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese governmentDiisopropyl 1,3-dithiolan-2-ylidenemalonate · - / R-100
| Endpoint | Reported classification |
|---|---|
| Hazardous to the aquatic environment （Acute） | Category 2 |
| Hazardous to the aquatic environment （Long-term） | Category 2 |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 290.406 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCSOHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.