METHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
METHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE structure
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Common Name | METHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE | ||
|---|---|---|---|---|
| CAS Number | 79686-03-6 | Molecular Weight | 218.66100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H7ClN2O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: Methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate (CAS number: 79686-03-6) is a chemical substance with molecular formula C7H7ClN2O2S and molecular weight 218.66100. 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 | methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate |
|---|---|
| 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.
| Molecular Formula | C7H7ClN2O2S |
|---|---|
| Molecular Weight | 218.66100 |
| Exact Mass | 217.99200 |
| PSA | 77.38000 |
| LogP | 1.63850 |
| InChIKey | PSBLUGJWGGDSKM-UHFFFAOYSA-N |
| SMILES | COC(=O)c1nc(SC)ncc1Cl |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
METHYL 5-CHLORO... CAS#:79686-03-6 |
| Literature: CRYSTALGENOMICS, INC. Patent: WO2007/73117 A1, 2007 ; Location in patent: Page/Page column 50 ; WO 2007/073117 A1 |
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~80%
METHYL 5-CHLORO... CAS#:79686-03-6 |
| Literature: Nyegaard and Co. A/S Patent: US4423047 A1, 1983 ; |
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 | 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Methylthio-4-methoxycarbonyl-5-chloropyrimidine |
| 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: Storage conditions for methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate: 2-8°C. |
| Q: What is the InChIKey of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: InChIKey of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is PSBLUGJWGGDSKM-UHFFFAOYSA-N. |
| Q: What English synonyms does methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate have? |
| A: English synonyms of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate: 2-Methylthio-4-methoxycarbonyl-5-chloropyrimidine, 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid methyl ester. |
| Q: What is the molecular formula of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: Molecular formula of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is C7H7ClN2O2S. |
| Q: What is the LogP of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: LogP of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is 1.63850. |
| Q: What is the SMILES notation of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: SMILES notation of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is COC(=O)c1nc(SC)ncc1Cl. |
| Q: What is the molecular weight of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: Molecular weight of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is 218.66100. |
| Q: What is the polar surface area (PSA) of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: Polar surface area (PSA) of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is 77.38000. |
| Q: What are the upstream materials of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: Related upstream materials(CAS) of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate: 67-56-1;61727-33-1. |
| Q: What is the English name of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate? |
| A: The English name of methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate is methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate. |
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. |