2-Amino-5-methylthiophene-3-carbonitrile
2-Amino-5-methylthiophene-3-carbonitrile structure
|
Common Name | 2-Amino-5-methylthiophene-3-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 138564-58-6 | Molecular Weight | 138.190 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 318.5±42.0 °C at 760 mmHg | |
| Molecular Formula | C6H6N2S | Melting Point | 101-103ºC | |
| MSDS | USA | Flash Point | 146.4±27.9 °C | |
Use of 2-Amino-5-methylthiophene-3-carbonitrile2-Amino-5-methylthiophene-3-carbonitrile can be used in the synthesis of Olanzapine (HY-14541)[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Amino-5-methyl-3-thiophenecarbonitrile |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2-Amino-5-methylthiophene-3-carbonitrile can be used in the synthesis of Olanzapine (HY-14541)[1]. |
|---|---|
| Related Catalog | |
| References |
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 | 318.5±42.0 °C at 760 mmHg |
| Melting Point | 101-103ºC |
| Molecular Formula | C6H6N2S |
| Molecular Weight | 138.190 |
| Flash Point | 146.4±27.9 °C |
| Exact Mass | 138.025162 |
| PSA | 78.05000 |
| LogP | 2.01 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.605 |
| InChIKey | YGXADLPRHBRTPG-UHFFFAOYSA-N |
| SMILES | Cc1cc(C#N)c(N)s1 |
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.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S22-S36/37/39 |
| RIDADR | UN 3276 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~76%
2-Amino-5-methy... CAS#:138564-58-6 |
| Literature: RAMOT AT TEL-AVIV UNIVERSITY LTD Patent: WO2008/50341 A2, 2008 ; Location in patent: Page/Page column 32; 33 ; |
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2-Amino-5-methy... CAS#:138564-58-6 |
| Literature: US2009/5556 A1, ; Page/Page column 5 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 7 | |
![5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile structure](https://image.chemsrc.com/caspic/050/138564-59-7.png)
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CAS#:51486-03-4This 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.
| MFCD01626055 |
| 2-Amino-5-methyl-3-thiophenecarbonitrile |
| T5SJ BZ CCN E1 |
| 2-Amino-3-cyano-5-methylthiophene |
| 2-Amino-5-methylthiophene-3-carbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: Molecular weight of 2-Amino-5-methyl-3-thiophenecarbonitrile is 138.190. |
| Q: What is the English name of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: The English name of 2-Amino-5-methyl-3-thiophenecarbonitrile is 2-Amino-5-methyl-3-thiophenecarbonitrile. |
| Q: What is the InChIKey of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: InChIKey of 2-Amino-5-methyl-3-thiophenecarbonitrile is YGXADLPRHBRTPG-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: LogP of 2-Amino-5-methyl-3-thiophenecarbonitrile is 2.01. |
| Q: What are the upstream materials of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: Related upstream materials(CAS) of 2-Amino-5-methyl-3-thiophenecarbonitrile: 123-38-6;109-77-3;4341-85-9. |
| Q: What English synonyms does 2-Amino-5-methyl-3-thiophenecarbonitrile have? |
| A: English synonyms of 2-Amino-5-methyl-3-thiophenecarbonitrile: MFCD01626055, 2-Amino-5-methyl-3-thiophenecarbonitrile, T5SJ BZ CCN E1, 2-Amino-3-cyano-5-methylthiophene, 2-Amino-5-methylthiophene-3-carbonitrile. |
| Q: What is the boiling point of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: Boiling point of 2-Amino-5-methyl-3-thiophenecarbonitrile is 318.5±42.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: SMILES notation of 2-Amino-5-methyl-3-thiophenecarbonitrile is Cc1cc(C#N)c(N)s1. |
| Q: What is the CAS number of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: CAS number of 2-Amino-5-methyl-3-thiophenecarbonitrile is 138564-58-6. |
| Q: What is the polar surface area (PSA) of 2-Amino-5-methyl-3-thiophenecarbonitrile? |
| A: Polar surface area (PSA) of 2-Amino-5-methyl-3-thiophenecarbonitrile is 78.05000. |
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. |
| Henan Tianfu Chemical Co., Ltd. |