thiadiazole-4-carboxamide structure
|
Common Name | thiadiazole-4-carboxamide | ||
|---|---|---|---|---|
| CAS Number | 4100-20-3 | Molecular Weight | 129.14000 | |
| Density | 1.536g/cm3 | Boiling Point | 370.2ºC at 760 mmHg | |
| Molecular Formula | C3H3N3OS | Melting Point | 216ºC | |
| MSDS | N/A | Flash Point | 177.7ºC | |
Summary: Chinese name: 1,2,3-thiadiazole-4-carboxamide, English name: thiadiazole-4-carboxamide, CAS number: 4100-20-3, molecular formula: C3H3N3OS, molecular weight: 129.14000. The melting point is 216ºC, boiling point is 370.2ºC, and density is 1.536g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | thiadiazole-4-carboxamide |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.536g/cm3 |
|---|---|
| Boiling Point | 370.2ºC at 760 mmHg |
| Melting Point | 216ºC |
| Molecular Formula | C3H3N3OS |
| Molecular Weight | 129.14000 |
| Flash Point | 177.7ºC |
| Exact Mass | 129.00000 |
| PSA | 97.11000 |
| LogP | 0.33730 |
| Index of Refraction | 1.625 |
| InChIKey | INWVNNCOIIHEPX-UHFFFAOYSA-N |
| SMILES | NC(=O)c1csnn1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 4100-20-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 216 - 218 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C3H3N3OS Molecular Weight: 129.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4100-20-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,2,3-Thiadiazole-4-carboxamide - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 4100-20-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4100-20-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4100-20-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S24/25 |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~70%
thiadiazole-4-c... CAS#:4100-20-3 |
| Literature: Li, Zaifeng; Wu, Zengru; Luo, Fuying Journal of Agricultural and Food Chemistry, 2005 , vol. 53, # 10 p. 3872 - 3876 |
|
~%
thiadiazole-4-c... CAS#:4100-20-3 |
| Literature: Looker,J.H.; Wilson,L.W. Journal of Heterocyclic Chemistry, 1965 , vol. 2, p. 348 - 354 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2,3-Thiadiazol-4-carboxyamid |
| [1,2,3]thiadiazole-4-carboxylic acid amide |
| 4-Carbamoyl-1,2,3-thiadiazol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of thiadiazole-4-carboxamide? |
| A: LogP of thiadiazole-4-carboxamide is 0.33730. |
| Q: What is the boiling point of thiadiazole-4-carboxamide? |
| A: Boiling point of thiadiazole-4-carboxamide is 370.2ºC at 760 mmHg. |
| Q: What is the molecular formula of thiadiazole-4-carboxamide? |
| A: Molecular formula of thiadiazole-4-carboxamide is C3H3N3OS. |
| Q: What is the SMILES notation of thiadiazole-4-carboxamide? |
| A: SMILES notation of thiadiazole-4-carboxamide is NC(=O)c1csnn1. |
| Q: What is the InChIKey of thiadiazole-4-carboxamide? |
| A: InChIKey of thiadiazole-4-carboxamide is INWVNNCOIIHEPX-UHFFFAOYSA-N. |
| Q: What English synonyms does thiadiazole-4-carboxamide have? |
| A: English synonyms of thiadiazole-4-carboxamide: 1,2,3-Thiadiazol-4-carboxyamid, [1,2,3]thiadiazole-4-carboxylic acid amide, 4-Carbamoyl-1,2,3-thiadiazol. |
| Q: What is the polar surface area (PSA) of thiadiazole-4-carboxamide? |
| A: Polar surface area (PSA) of thiadiazole-4-carboxamide is 97.11000. |
| Q: What is the safety information for thiadiazole-4-carboxamide? |
| A: Safety information for thiadiazole-4-carboxamide: S24/25. |
| Q: What is the English name of thiadiazole-4-carboxamide? |
| A: The English name of thiadiazole-4-carboxamide is thiadiazole-4-carboxamide. |
| Q: What is the molecular weight of thiadiazole-4-carboxamide? |
| A: Molecular weight of thiadiazole-4-carboxamide is 129.14000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |