5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Modify Date: 2024-01-09 12:39:22

5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Structure
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure
Common Name 5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS Number 7651-40-3 Molecular Weight 264.34300
Density 1.2g/cm3 Boiling Point N/A
Molecular Formula C13H16N2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Synonym More Synonyms

 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

 Synonyms

RAC THIOHEXITAL
Thiohexital