3-(4-OXO-3,4,5,6,7,8-HEXAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)-PROPIONIC ACID
![3-(4-OXO-3,4,5,6,7,8-HEXAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)-PROPIONIC ACID Structure](https://image.chemsrc.com/caspic/142/109164-47-8.png)
3-(4-OXO-3,4,5,6,7,8-HEXAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)-PROPIONIC ACID structure
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Common Name | 3-(4-OXO-3,4,5,6,7,8-HEXAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)-PROPIONIC ACID | ||
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| CAS Number | 109164-47-8 | Molecular Weight | 278.32700 | |
| Density | 1.61g/cm3 | Boiling Point | 470.6ºC at 760 mmHg | |
| Molecular Formula | C13H14N2O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 238.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid |
|---|---|
| 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 | 1.61g/cm3 |
|---|---|
| Boiling Point | 470.6ºC at 760 mmHg |
| Molecular Formula | C13H14N2O3S |
| Molecular Weight | 278.32700 |
| Flash Point | 238.4ºC |
| Exact Mass | 278.07300 |
| PSA | 111.29000 |
| LogP | 1.88060 |
| Vapour Pressure | 1.16E-09mmHg at 25°C |
| Index of Refraction | 1.766 |
| InChIKey | ZUYIZUTYDFCUMM-UHFFFAOYSA-N |
| SMILES | O=C(O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~89%
3-(4-OXO-3,4,5,... CAS#:109164-47-8 |
| Literature: Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861 |
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~%
3-(4-OXO-3,4,5,... CAS#:109164-47-8 |
| Literature: Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861 |
|
~%
3-(4-OXO-3,4,5,... CAS#:109164-47-8 |
| Literature: Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861 |
|
~%
3-(4-OXO-3,4,5,... CAS#:109164-47-8 |
| Literature: Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861 |
|
~%
3-(4-OXO-3,4,5,... CAS#:109164-47-8 |
| Literature: Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861 |
![N-(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YL)-SUCCINAMIC ACID structure](https://image.chemsrc.com/caspic/349/109164-37-6.png)
![4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid structure](https://image.chemsrc.com/caspic/441/62159-41-5.png)
![ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure](https://image.chemsrc.com/caspic/045/4506-71-2.png)
![2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester structure](https://image.chemsrc.com/caspic/129/108354-78-5.png)
![2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](https://image.chemsrc.com/caspic/059/4815-28-5.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| f0307-0537 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: Boiling point of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is 470.6ºC at 760 mmHg. |
| Q: What English synonyms does 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid have? |
| A: English synonyms of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid: f0307-0537. |
| Q: What is the polar surface area (PSA) of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: Polar surface area (PSA) of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is 111.29000. |
| Q: What is the English name of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: The English name of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid. |
| Q: What is the InChIKey of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: InChIKey of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is ZUYIZUTYDFCUMM-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: SMILES notation of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is O=C(O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3. |
| Q: What is the CAS number of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: CAS number of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is 109164-47-8. |
| Q: What is the molecular formula of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: Molecular formula of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is C13H14N2O3S. |
| Q: What is the LogP of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: LogP of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is 1.88060. |
| Q: What is the molecular weight of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid? |
| A: Molecular weight of 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid is 278.32700. |
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. |