Molinate
A member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 2212-67-1 | ChEBI ↗ |
| Molecular formula | C9H17NOS | ChEBI ↗ |
| Molar mass | 187.308 g/mol | ChEBI ↗ |
| Monoisotopic mass | 187.10309 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:6964 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 187.30 g/mol | PubChem ↗ |
| Exact mass | 187.10308534 Da | PubChem ↗ |
| Computed XLogP | 3.2 | PubChem ↗ |
| Topological polar surface area (Ų) | 45.6 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 2 | PubChem ↗ |
| Rotatable bonds | 2 | 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 identifiermolinateS-ethyl azepane-1-carbothioateDEDOPGXGGQYYMW-UHFFFAOYSA-NCCSC(=O)N1CCCCCC1InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3Names & 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 governmentS-Ethyl hexahydro-1H-azepine-1-carbothioate; Molinate · R02-B-091-MHLW, MOE
| Endpoint | Reported classification |
|---|---|
| Acute toxicity （Oral） | Category 4 |
| Acute toxicity （Inhalation: Dusts and mists） | Category 4 |
| Serious eye damage/eye irritation | Category 2A |
| Carcinogenicity | Category 2 |
| Reproductive toxicity | Category 1B |
| Specific target organ toxicity - Single exposure | Category 1 (nervous system), Category 2 (reproductive organs (male)), Category 3 (respiratory tract irritation) |
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 187.308 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCSHONCalculated 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.