5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole
5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole structure
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Common Name | 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole | ||
|---|---|---|---|---|
| CAS Number | 61352-19-0 | Molecular Weight | 269.34500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H7N3S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C13H7N3S2 |
|---|---|
| Molecular Weight | 269.34500 |
| Exact Mass | 269.00800 |
| PSA | 98.47000 |
| LogP | 4.09260 |
| InChIKey | GMYIXALJQPJSRO-UHFFFAOYSA-N |
| SMILES | S=C=Nc1ccc2sc(-c3cccnc3)nc2c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
5-isothiocyanat... CAS#:61352-19-0 |
| Literature: Haugwitz; Angel; Jacobs; Maurer; Narayanan; Cruthers; Szanto Journal of Medicinal Chemistry, 1982 , vol. 25, # 8 p. 969 - 974 |
|
~%
5-isothiocyanat... CAS#:61352-19-0 |
| Literature: Haugwitz; Angel; Jacobs; Maurer; Narayanan; Cruthers; Szanto Journal of Medicinal Chemistry, 1982 , vol. 25, # 8 p. 969 - 974 |
|
~%
5-isothiocyanat... CAS#:61352-19-0 |
| Literature: Haugwitz; Angel; Jacobs; Maurer; Narayanan; Cruthers; Szanto Journal of Medicinal Chemistry, 1982 , vol. 25, # 8 p. 969 - 974 |
|
~%
5-isothiocyanat... CAS#:61352-19-0 |
| Literature: Haugwitz; Angel; Jacobs; Maurer; Narayanan; Cruthers; Szanto Journal of Medicinal Chemistry, 1982 , vol. 25, # 8 p. 969 - 974 |
|
~%
5-isothiocyanat... CAS#:61352-19-0 |
| Literature: Haugwitz; Angel; Jacobs; Maurer; Narayanan; Cruthers; Szanto Journal of Medicinal Chemistry, 1982 , vol. 25, # 8 p. 969 - 974 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Mouse oral clearance was measured against Hymenolepiasis nana.
Source: ChEMBL
Target: Rodentolepis nana
External Id: CHEMBL628085
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Name: Mouse oral clearance was measured against Nematospiroides dubius
Source: ChEMBL
Target: Heligmosomoides polygyrus
External Id: CHEMBL628086
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Name: Percent reduction in fecal egg count was measured in sheep dosed at 50 mg/kg.; NT is ...
Source: ChEMBL
Target: Ovis aries
External Id: CHEMBL805008
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: LogP of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is 4.09260. |
| Q: What is the SMILES notation of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: SMILES notation of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is S=C=Nc1ccc2sc(-c3cccnc3)nc2c1. |
| Q: What is the polar surface area (PSA) of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: Polar surface area (PSA) of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is 98.47000. |
| Q: What is the molecular weight of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: Molecular weight of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is 269.34500. |
| Q: What is the molecular formula of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: Molecular formula of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is C13H7N3S2. |
| Q: What is the English name of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: The English name of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole. |
| Q: What is the InChIKey of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: InChIKey of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is GMYIXALJQPJSRO-UHFFFAOYSA-N. |
| Q: What is the CAS number of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole? |
| A: CAS number of 5-isothiocyanato-2-pyridin-3-yl-1,3-benzothiazole is 61352-19-0. |
| Q: What is the Chinese name of 61352-19-0? |
| A: Chinese name of 61352-19-0 is 61352-19-0. |