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467-36-7

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Basic Information
CAS No.: 467-36-7
Name: thialbarbital
Molecular Structure:
Molecular Structure of 467-36-7 (thialbarbital)
Formula: C13H16 N2 O2 S
Molecular Weight: 264.348
Synonyms: 4,6(1H,5H)-Pyrimidinedione,5-(2-cyclohexen-1-yl)dihydro-5-(2-propenyl)-2-thioxo- (9CI); Barbituric acid,5-allyl-5-(2-cyclohexen-1-yl)-2-thio- (6CI,7CI,8CI);5-Allyl-5-(2-cyclohexen-1-yl)-2-thiobarbituric acid; Kemithal; Thialbarbital;Thialbarbitone; Thialpenton
Density: 1.25g/cm3
Melting Point: 148-150°
Safety: Poison by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also BARBITURATES.
PSA: 97.27000
LogP: 1.98790
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Chemistry

Empirical Formula of Thialbarbital (CAS NO.467-36-7): C13H16N2O2S
Molecular Weight: 264.3433 g/mol
Index of Refraction: 1.606
Density: 1.25 g/cm3 
EINECS: 207-390-3
Structure of Thialbarbital (CAS NO.467-36-7):
              
IUPAC Name: 5-Cyclohex-2-en-1-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 384mg/kg (384mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 1, Pg. 215, 1946.
mouse LD50 intravenous 390mg/kg (390mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 1, Pg. 215, 1946.
mouse LD50 oral 370mg/kg (370mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 1, Pg. 215, 1946.
mouse LD50 subcutaneous 240mg/kg (240mg/kg)   Farmaco. Scienza e Tecnica. Vol. 3, Pg. 269, 1948.
rat LD50 intravenous 175mg/kg (175mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 106, Pg. 437, 1956.
 

Safety Profile

Poison by ingestion, intraperitoneal and intravenous routes. When heated to decomposition Thialbarbital (CAS NO.467-36-7) emits very toxic fumes of NOx and SOx. See also BARBITURATES.

Specification

 Thialbarbital ,its cas register number is 467-36-7. It also can be called 4,6(1H,5H)-Pyrimidinedione, 5-(2-cyclohexen-1-yl)dihydro-5-(2-propenyl)-2-thioxo- ; 5-Allyl-5-(2-cyclohexen-1-yl)-2-thiobarbituric acid ; and Barbituric acid, 5-allyl-5-(2-cyclohexen-1-yl)-2-thio- .