Introduction：Basic information about CAS 94149-41-4|Midesteine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Midesteine |
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| CAS Number | 94149-41-4 | Molecular Weight | 315.43200 |
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| Density | 1.42g/cm3 | Boiling Point | 559.3ºC at 760 mmHg |
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| Molecular Formula | C12H13NO3S3 | Melting Point | / |
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| MSDS | / | Flash Point | 292ºC |
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Names
| Name | S-[1-oxo-1-[(2-oxothiolan-3-yl)amino]propan-2-yl] thiophene-2-carbothioate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.42g/cm3 |
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| Boiling Point | 559.3ºC at 760 mmHg |
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| Molecular Formula | C12H13NO3S3 |
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| Molecular Weight | 315.43200 |
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| Flash Point | 292ºC |
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| Exact Mass | 315.00600 |
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| PSA | 142.08000 |
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| LogP | 2.54920 |
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| Index of Refraction | 1.643 |
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| InChIKey | MKTVMEMIKNBVHI-UHFFFAOYSA-N |
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| SMILES | CC(SC(=O)c1cccs1)C(=O)NC1CCSC1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XM8120000
- CHEMICAL NAME :
- 2-Thiophenecarbothioic acid, S-(1-methyl-2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amin o) ethyl) ester
- CAS REGISTRY NUMBER :
- 94149-41-4
- LAST UPDATED :
- 199406
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H13-N-O3-S3
- MOLECULAR WEIGHT :
- 315.44
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,997,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,997,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,997,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,997,1990
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Synonyms
| Midesteina |
| MR-889 |
| Midesteine |
