2-methylthio-4-chloropyrimidine
2-methylthio-4-chloropyrimidine structure
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Common Name | 2-methylthio-4-chloropyrimidine | ||
|---|---|---|---|---|
| CAS Number | 49844-90-8 | Molecular Weight | 160.625 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 243.1±13.0 °C at 760 mmHg | |
| Molecular Formula | C5H5ClN2S | Melting Point | −2 °C(lit.) | |
| MSDS | USA | Flash Point | 100.8±19.8 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chloro-2-methylthiopyrimidine |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 243.1±13.0 °C at 760 mmHg |
| Melting Point | −2 °C(lit.) |
| Molecular Formula | C5H5ClN2S |
| Molecular Weight | 160.625 |
| Flash Point | 100.8±19.8 °C |
| Exact Mass | 159.986191 |
| PSA | 51.08000 |
| LogP | 1.81 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.595 |
| InChIKey | DFOHHQRGDOQMKG-UHFFFAOYSA-N |
| SMILES | CSc1nccc(Cl)n1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 1760 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 10 | |
CAS#:3934-20-1
CAS#:148990-17-4
CAS#:17119-73-2
CAS#:91719-61-8
CAS#:97229-11-3
CAS#:2183-66-6
CAS#:823-09-6
CAS#:959236-97-6
CAS#:104408-29-9
CAS#:1122-74-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Concise total syntheses of variolin B and deoxyvariolin B.
J. Org. Chem. 70(16) , 6204-12, (2005) The total synthesis of the marine alkaloid variolin B has been achieved in 8 steps and 17% overall yield, starting from commercially available 4-chloro-2-methylthiopyrimidine. The key reaction involve... |
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Design, synthesis, and activity of 2-imidazol-1-ylpyrimidine derived inducible nitric oxide synthase dimerization inhibitors.
J. Med. Chem. 50 , 1146, (2007) By the screening of a combinatorial library for inhibitors of nitric oxide (NO) formation by the inducible isoform of nitric oxide synthase (iNOS) using a whole-cell assay, 2-(imidazol-1-yl)pyrimidine... |
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Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides.
J. Med. Chem. 50 , 3497, (2007) The vanilloid receptor-1 (VR1 or TRPV1) is a member of the transient receptor potential (TRP) family of ion channels and plays a role as an integrator of multiple pain-producing stimuli. From a high-t... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-methylthio-4-chloropyrimidine |
| 4-Chloro-2-(methylthio)pyrimidine |
| 4-Chloro-2-methylthiopyrimidine |
| MFCD00006083 |
| 4-Chloro-2-(methylsulfanyl)pyrimidine |
| 4-chloro-2-methylsulfanylpyrimidine |
| EINECS 256-500-6 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 4-Chloro-2-methylthiopyrimidine? |
| A: Molecular formula of 4-Chloro-2-methylthiopyrimidine is C5H5ClN2S. |
| Q: What is the molecular weight of 4-Chloro-2-methylthiopyrimidine? |
| A: Molecular weight of 4-Chloro-2-methylthiopyrimidine is 160.625. |
| Q: What is the LogP of 4-Chloro-2-methylthiopyrimidine? |
| A: LogP of 4-Chloro-2-methylthiopyrimidine is 1.81. |
| Q: What is the CAS number of 4-Chloro-2-methylthiopyrimidine? |
| A: CAS number of 4-Chloro-2-methylthiopyrimidine is 49844-90-8. |
| Q: What is the SMILES notation of 4-Chloro-2-methylthiopyrimidine? |
| A: SMILES notation of 4-Chloro-2-methylthiopyrimidine is CSc1nccc(Cl)n1. |
| Q: What is the safety information for 4-Chloro-2-methylthiopyrimidine? |
| A: Safety information for 4-Chloro-2-methylthiopyrimidine: S26-S36/37/39-S45. |
| Q: What are the downstream products of 4-Chloro-2-methylthiopyrimidine? |
| A: Related downstream products(CAS) of 4-Chloro-2-methylthiopyrimidine: 3934-20-1;148990-17-4;17119-73-2;91719-61-8;97229-11-3;2183-66-6;823-09-6;959236-97-6;104408-29-9;1122-74-3. |
| Q: What is the melting point of 4-Chloro-2-methylthiopyrimidine? |
| A: Melting point of 4-Chloro-2-methylthiopyrimidine is −2 °C(lit.). |
| Q: What are the upstream materials of 4-Chloro-2-methylthiopyrimidine? |
| A: Related upstream materials(CAS) of 4-Chloro-2-methylthiopyrimidine: 5751-20-2. |
| Q: What is the InChIKey of 4-Chloro-2-methylthiopyrimidine? |
| A: InChIKey of 4-Chloro-2-methylthiopyrimidine is DFOHHQRGDOQMKG-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |