1-Piperidinecarbodithioicacid, 2,4-dinitrophenyl ester
1-Piperidinecarbodithioicacid, 2,4-dinitrophenyl ester structure
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Common Name | 1-Piperidinecarbodithioicacid, 2,4-dinitrophenyl ester | ||
|---|---|---|---|---|
| CAS Number | 897-73-4 | Molecular Weight | 327.37900 | |
| Density | 1.49g/cm3 | Boiling Point | 477ºC at 760mmHg | |
| Molecular Formula | C12H13N3O4S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 242.3ºC | |
Summary: (2,4-dinitrophenyl) piperidine-1-carbodithioate, Chinese name 1-Piperidinecarbodithioicacid, 2,4-dinitrophenyl ester, CAS number 897-73-4, molecular formula C12H13N3O4S2, molecular weight 327.37900. 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 | (2,4-dinitrophenyl) piperidine-1-carbodithioate |
|---|---|
| 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 | 1.49g/cm3 |
|---|---|
| Boiling Point | 477ºC at 760mmHg |
| Molecular Formula | C12H13N3O4S2 |
| Molecular Weight | 327.37900 |
| Flash Point | 242.3ºC |
| Exact Mass | 327.03500 |
| PSA | 152.27000 |
| LogP | 4.35020 |
| Index of Refraction | 1.689 |
| InChIKey | WGHMTMZWAILAPJ-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc(SC(=S)N2CCCCC2)c([N+](=O)[O-])c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-Piperidinecar... CAS#:897-73-4 |
| Literature: Kapanda, Coco N.; Masquelier, Julien; Labar, Geoffray; Muccioli, Giulio G.; Poupaert, Jacques H.; Lambert, Didier M. Journal of Medicinal Chemistry, 2012 , vol. 55, # 12 p. 5774 - 5783 |
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1-Piperidinecar... CAS#:897-73-4 |
| Literature: Kapanda, Coco N.; Masquelier, Julien; Labar, Geoffray; Muccioli, Giulio G.; Poupaert, Jacques H.; Lambert, Didier M. Journal of Medicinal Chemistry, 2012 , vol. 55, # 12 p. 5774 - 5783 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by li...
Source: ChEMBL
Target: Monoglyceride lipase
External Id: CHEMBL2160518
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Name: Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanol...
Source: ChEMBL
Target: Fatty-acid amide hydrolase 1
External Id: CHEMBL2160519
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Name: Selectivity ratio of IC50 for human recombinant FAAH to IC50 for human recombinant MA...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2160520
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Pyridin-N-dithiocarbonsaeure-2,4-dinitrophenylester |
| 2,4-dinitrophenyl piperidine-1-carbodithioate |
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 (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: CAS number of (2,4-dinitrophenyl) piperidine-1-carbodithioate is 897-73-4. |
| Q: What is the polar surface area (PSA) of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: Polar surface area (PSA) of (2,4-dinitrophenyl) piperidine-1-carbodithioate is 152.27000. |
| Q: What is the InChIKey of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: InChIKey of (2,4-dinitrophenyl) piperidine-1-carbodithioate is WGHMTMZWAILAPJ-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: SMILES notation of (2,4-dinitrophenyl) piperidine-1-carbodithioate is O=[N+]([O-])c1ccc(SC(=S)N2CCCCC2)c([N+](=O)[O-])c1. |
| Q: What English synonyms does (2,4-dinitrophenyl) piperidine-1-carbodithioate have? |
| A: English synonyms of (2,4-dinitrophenyl) piperidine-1-carbodithioate: Pyridin-N-dithiocarbonsaeure-2,4-dinitrophenylester, 2,4-dinitrophenyl piperidine-1-carbodithioate. |
| Q: What is the Chinese name of 897-73-4? |
| A: Chinese name of 897-73-4 is 897-73-4. |
| Q: What is the LogP of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: LogP of (2,4-dinitrophenyl) piperidine-1-carbodithioate is 4.35020. |
| Q: What is the boiling point of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: Boiling point of (2,4-dinitrophenyl) piperidine-1-carbodithioate is 477ºC at 760mmHg. |
| Q: What are the upstream materials of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: Related upstream materials(CAS) of (2,4-dinitrophenyl) piperidine-1-carbodithioate: 70-34-8;59983-55-0;110-89-4. |
| Q: What is the molecular formula of (2,4-dinitrophenyl) piperidine-1-carbodithioate? |
| A: Molecular formula of (2,4-dinitrophenyl) piperidine-1-carbodithioate is C12H13N3O4S2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |