2-(Methylthio)-4-pyrimidinecarbonitrile
2-(Methylthio)-4-pyrimidinecarbonitrile structure
|
Common Name | 2-(Methylthio)-4-pyrimidinecarbonitrile | ||
|---|---|---|---|---|
| CAS Number | 1124-75-0 | Molecular Weight | 151.189 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 311.4±15.0 °C at 760 mmHg | |
| Molecular Formula | C6H5N3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 142.1±20.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methylsulfanylpyrimidine-4-carbonitrile |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 311.4±15.0 °C at 760 mmHg |
| Molecular Formula | C6H5N3S |
| Molecular Weight | 151.189 |
| Flash Point | 142.1±20.4 °C |
| Exact Mass | 151.020416 |
| PSA | 74.87000 |
| LogP | 1.26 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | HOMZHGIUBGGGEL-UHFFFAOYSA-N |
| SMILES | CSc1nccc(C#N)n1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~77%
2-(Methylthio)-... CAS#:1124-75-0 |
| Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2006/9889 A1, 2006 ; Location in patent: Page/Page column 56 ; WO 2006/009889 A1 |
|
~64%
2-(Methylthio)-... CAS#:1124-75-0 |
| Literature: Takeda Chemical Industries, Ltd. Patent: EP1424336 A1, 2004 ; Location in patent: Page 210 ; |
|
~85%
2-(Methylthio)-... CAS#:1124-75-0 |
| Literature: Hermann, Klaus; Simchen, Gerhard Liebigs Annalen der Chemie, 1981 , # 2 p. 333 - 341 |
|
~%
2-(Methylthio)-... CAS#:1124-75-0 |
| Literature: Liebigs Annalen der Chemie, , # 2 p. 333 - 341 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| 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-(Methylsulfanyl)-4-pyrimidinecarbonitrile |
| 6-Cyano-2-methylthiopyrimidine |
| 2-(Methylthio)-4-pyrimidinecarbonitrile |
| 2-(Methylsulfanyl)pyrimidine-4-carbonitrile |
| 2-Methylmercapto-4-cyan-pyrimidin |
| 4-Cyan-2-methylthiopyrimidin |
| 2-methylsulfanyl-pyrimidine-4-carbonitrile |
| 4-Cyano-2-methylthiopyrimidin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: CAS number of 2-methylsulfanylpyrimidine-4-carbonitrile is 1124-75-0. |
| Q: What is the boiling point of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: Boiling point of 2-methylsulfanylpyrimidine-4-carbonitrile is 311.4±15.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: SMILES notation of 2-methylsulfanylpyrimidine-4-carbonitrile is CSc1nccc(C#N)n1. |
| Q: What is the molecular weight of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: Molecular weight of 2-methylsulfanylpyrimidine-4-carbonitrile is 151.189. |
| Q: What is the molecular formula of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: Molecular formula of 2-methylsulfanylpyrimidine-4-carbonitrile is C6H5N3S. |
| Q: What is the polar surface area (PSA) of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: Polar surface area (PSA) of 2-methylsulfanylpyrimidine-4-carbonitrile is 74.87000. |
| Q: What is the InChIKey of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: InChIKey of 2-methylsulfanylpyrimidine-4-carbonitrile is HOMZHGIUBGGGEL-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: LogP of 2-methylsulfanylpyrimidine-4-carbonitrile is 1.26. |
| Q: What English synonyms does 2-methylsulfanylpyrimidine-4-carbonitrile have? |
| A: English synonyms of 2-methylsulfanylpyrimidine-4-carbonitrile: 2-(Methylsulfanyl)-4-pyrimidinecarbonitrile, 6-Cyano-2-methylthiopyrimidine, 2-(Methylthio)-4-pyrimidinecarbonitrile, 2-(Methylsulfanyl)pyrimidine-4-carbonitrile, 2-Methylmercapto-4-cyan-pyrimidin, 4-Cyan-2-methylthiopyrimidin, 2-methylsulfanyl-pyrimidine-4-carbonitrile, 4-Cyano-2-methylthiopyrimidin. |
| Q: What are the upstream materials of 2-methylsulfanylpyrimidine-4-carbonitrile? |
| A: Related upstream materials(CAS) of 2-methylsulfanylpyrimidine-4-carbonitrile: 544-92-3;1122-74-3;75833-38-4;5188-07-8;13435-20-6;6622-64-6;49844-90-8. |
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. |