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

  • 2-Amino-6-fluoroindole hydrochloride
  • 2-(1-methyl-1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid
  • 3-(1,1-Dimethylethyl)-2,5-dimethyl-1H-pyrrole
  • 1h-Indol-6-amine,4-(ethylsulfonyl)-
  • 2-(4-Bromophenyl)-2-hydroxypropanenitrile
  • 1-(4-Chloro-3-ethoxybenzyl)piperidin-4-ylamine
  • 2-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)isoindoline-1,3-dione
  • 6-Fluoro-5-methylnicotinoyl Chloride
  • methyl 4-(4-ethylphenyl)-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide
  • 11-Nitro-dibenz(c,f)indeno(1,2,3-ij)(2,7)naphthyridine
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