Introduction：Basic information about CAS 467-36-7|thialbarbital, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | thialbarbital |
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| CAS Number | 467-36-7 | Molecular Weight | 264.34300 |
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| Density | 1.25g/cm3 | Boiling Point | / |
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| Molecular Formula | C13H16N2O2S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 5-cyclohex-2-en-1-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.25g/cm3 |
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| Molecular Formula | C13H16N2O2S |
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| Molecular Weight | 264.34300 |
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| Exact Mass | 264.09300 |
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| PSA | 97.27000 |
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| LogP | 1.98790 |
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| Index of Refraction | 1.606 |
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| InChIKey | PXLVRFQEBVNJOH-UHFFFAOYSA-N |
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| SMILES | C=CCC1(C2C=CCCC2)C(=O)NC(=S)NC1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CP8400000
- CHEMICAL NAME :
- Barbituric acid, 5-allyl-5-(2-cyclohexen-1-yl)-2-thio-
- CAS REGISTRY NUMBER :
- 467-36-7
- LAST UPDATED :
- 199007
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C13-H16-N2-O2-S
- MOLECULAR WEIGHT :
- 264.37
- WISWESSER LINE NOTATION :
- T6VMYMV FHJ CUS F2U1 F- CL6UTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 175 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 106,437,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 370 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 1,215,1946
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 384 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 1,215,1946
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 240 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FSTEAI Farmaco. Scienza e Tecnica. (Pavia, Italy) V.1-7, 1946-52. For publisher information, see FRPSAX. Volume(issue)/page/year: 3,269,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 390 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 1,215,1946
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Synonyms
| Tialbarbitale [DCIT] |
| 5-allyl-5-cyclohex-2-enyl-2-thioxo-dihydro-pyrimidine-4,6-dione |
| Thialpenton |
| 5-Allyl-5-cyclohex-2-enyl-2-thio-barbitursaeure |
| Thialbarbitalum [INN-Latin] |
| Thialbarbital |
| Tialbarbital [INN-Spanish] |
| Thialbarbitone |
| 4,6(1H,5H)-Pyrimidinedione,5-(2-cyclohexen-1-yl)dihydro-5-(2-propenyl)-2-thioxo |
| Thialbital,5-Allyl-5-<cyclohexen-(2)-yl>-2-thio-barbitursaeure |
| Kemithal |
| Thiohexallymalum |
| 5-allyl-5-cyclohex-2-enyl-2-thio-barbituric acid |
| EINECS 207-390-3 |
