Introduction：Basic information about CAS 5700-04-9|1,3-diazepane-2-thione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-diazepane-2-thione |
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| CAS Number | 5700-04-9 | Molecular Weight | 130.21100 |
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| Density | 1.14g/cm3 | Boiling Point | 194.4ºC at 760 mmHg |
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| Molecular Formula | C5H10N2S | Melting Point | 178ºC |
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| MSDS | / | Flash Point | 71.4ºC |
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Names
| Name | 1,3-diazepane-2-thione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.14g/cm3 |
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| Boiling Point | 194.4ºC at 760 mmHg |
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| Melting Point | 178ºC |
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| Molecular Formula | C5H10N2S |
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| Molecular Weight | 130.21100 |
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| Flash Point | 71.4ºC |
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| Exact Mass | 130.05600 |
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| PSA | 56.15000 |
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| LogP | 0.90190 |
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| Index of Refraction | 1.576 |
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| InChIKey | ZLJLVKBAMJHNJH-UHFFFAOYSA-N |
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| SMILES | S=C1NCCCCN1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- HM4093000
- CHEMICAL NAME :
- 1,3-Diazepin-2-thione, hexahydro-
- CAS REGISTRY NUMBER :
- 5700-04-9
- LAST UPDATED :
- 199007
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C5-H10-N2-S
- MOLECULAR WEIGHT :
- 130.23
- WISWESSER LINE NOTATION :
- T7MYMTJ BUS
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 215 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,214,1968
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1,3-Diazacycloheptane-2-thione |
| perhydro-1H-1,3-diazepine-2-thione |
| 1,3,4,5,6,7-Hexahydro-2H-1,3-diazepine-2-thione |
| tetrahydro-1,3-diazepine-2-thione |
| 1,3-diazaperhydroepine-2-thione |
| Hexahydro-1,3-diazepin-2-thione |
| 4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thione |
| hexahydro-1,3-diazepine-2-thione |
| N,N'-Tetramethylenethiourea |
| hexahydro-2H-1,3-diazepine-2-thione |
| hexahydro-2h-1,3-diazapine-2-thione |
| 1,3-DIAZEPIN-2-THIONE,HEXAHYDRO |
