2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate structure
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Common Name | 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate | ||
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| CAS Number | 98064-12-1 | Molecular Weight | 534.64800 | |
| Density | 1.33g/cm3 | Boiling Point | 767.5ºC at 760 mmHg | |
| Molecular Formula | C24H30N4O6S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 418ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate |
|---|---|
| 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 | 1.33g/cm3 |
|---|---|
| Boiling Point | 767.5ºC at 760 mmHg |
| Molecular Formula | C24H30N4O6S2 |
| Molecular Weight | 534.64800 |
| Flash Point | 418ºC |
| Exact Mass | 534.16100 |
| PSA | 199.42000 |
| LogP | 4.99620 |
| Index of Refraction | 1.622 |
| InChIKey | BGDVJDHOODQTHS-UHFFFAOYSA-N |
| SMILES | CCNC(=O)OCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCOC(=O)NCC |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~92%
2-[[2-[[2-[2-(e... CAS#:98064-12-1 |
| Literature: Okachi, Ryo; Niino, Hideki; Kitaura, Kozo; Mineura, Kazuyuki; Nakamizo, Yoshinobu; et al. Journal of Medicinal Chemistry, 1985 , vol. 28, # 12 p. 1772 - 1779 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antibacterial activity against Mycobacterium kansasii
Source: ChEMBL
Target: Mycobacterium kansasii
External Id: CHEMBL751971
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Name: Antibacterial activity against Mycobacterium tuberculosis H37Rv.
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL746402
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Name: Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv kanamycin ...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL746400
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Name: Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv streptomyc...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL746401
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Name: Antibacterial activity against Mycobacterium intracellular.
Source: ChEMBL
Target: Mycobacterium intracellulare
External Id: CHEMBL751964
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Name: Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv isonicotin...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL746399
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,2'-dithiobis<N-<2-<(N-ethylcarbamoyl)oxy>ethyl>benzamide> |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: SMILES notation of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is CCNC(=O)OCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCOC(=O)NCC. |
| Q: What is the LogP of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: LogP of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is 4.99620. |
| Q: What English synonyms does 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate have? |
| A: English synonyms of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate: 2,2'-dithiobis |
| Q: What is the boiling point of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: Boiling point of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is 767.5ºC at 760 mmHg. |
| Q: What are the upstream materials of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: Related upstream materials(CAS) of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate: 7765-80-2;109-90-0. |
| Q: What is the molecular weight of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: Molecular weight of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is 534.64800. |
| Q: What is the polar surface area (PSA) of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: Polar surface area (PSA) of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is 199.42000. |
| Q: What is the molecular formula of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: Molecular formula of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is C24H30N4O6S2. |
| Q: What is the Chinese name of 98064-12-1? |
| A: Chinese name of 98064-12-1 is 98064-12-1. |
| Q: What is the InChIKey of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate? |
| A: InChIKey of 2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate is BGDVJDHOODQTHS-UHFFFAOYSA-N. |