5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Names
[ CAS No. ]:
7651-40-3
[ Name ]:
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
[Synonym ]:
RAC THIOHEXITAL
Thiohexital
Chemical & Physical Properties
[ Density]:
1.2g/cm3
[ Molecular Formula ]:
C13H16N2O2S
[ Molecular Weight ]:
264.34300
[ Exact Mass ]:
264.09300
[ PSA ]:
90.29000
[ LogP ]:
1.78690
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CQ0411000
- CHEMICAL NAME :
- Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (+-)-
- CAS REGISTRY NUMBER :
- 7651-40-3
- LAST UPDATED :
- 198208
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C13-H16-N2-O2-S
- MOLECULAR WEIGHT :
- 264.37
- WISWESSER LINE NOTATION :
- T6VMYMV FHJ CUS FY1&1UU3 F2U1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement
- 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: 24,1241,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 64 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement
- 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: 24,1241,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 54 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement
- 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: 24,1241,1981
Related Compounds
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