Disulfiram
An organic disulfide that results from the formal oxidative dimerisation of N,N-diethyldithiocarbamic acid. A multi-enzyme inhibitor that is used in alcohol aversion therapy and also exhibits anticancer properties. — ChEBI
Safety documents & references
2 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 | 97-77-8 | ChEBI ↗ |
| Molecular formula | C10H20N2S4 | ChEBI ↗ |
| Molar mass | 296.552 g/mol | ChEBI ↗ |
| Monoisotopic mass | 296.05093 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:4659 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 296.5 g/mol | PubChem ↗ |
| Exact mass | 296.05093334 Da | PubChem ↗ |
| Computed XLogP | 3.9 | PubChem ↗ |
| Topological polar surface area (Ų) | 121 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 4 | PubChem ↗ |
| Rotatable bonds | 7 | 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 identifierdisulfiram1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethaneAUZONCFQVSMFAP-UHFFFAOYSA-NCCN(CC)C(=S)SSC(=S)N(CC)CCInChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3Names & 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 governmentTetraethylthiuram disulfide (Disulfiram) · H30-B-003-MHLW, MOE
| Endpoint | Reported classification |
|---|---|
| Skin sensitization | Category 1 |
| Reproductive toxicity | Category 2 |
| Specific target organ toxicity - Single exposure | Category 1 (nervous system, kidney) |
| Specific target organ toxicity - Repeated exposure | Category 1 (nervous system, cardiovascular system, thyroid, gastrointestinal tract, liver) |
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 296.552 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsSCNHCalculated 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.