Basic Information | Post buying leads | Suppliers |
Name |
Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate |
EINECS | N/A |
CAS No. | 3546-29-0 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H16N2O2S•Na | Boiling Point | N/A |
Molecular Weight | 287.36 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
Molecule structure of Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate (CAS NO.3546-29-0) :
IUPAC Name: sodium 5-cyclohex-2-en-1-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Molecular Weight: 286.32517 g/mol
Molecular Formula: C13H15N2NaO2S
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 286.075193
MonoIsotopic Mass: 286.075193
Topological Polar Surface Area: 58.5
Heavy Atom Count: 19
Complexity: 462
Canonical SMILES: C=CCC1(C(=O)NC(=NC1=O)[S-])C2CCCC=C2.[Na+]
InChI: InChI=1S/C13H16N2O2S.Na/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17;/h2,4,6,9H,1,3,5,7-8H2,(H2,14,15,16,17,18);/q;+1/p-1
InChIKey: GDJWAYOMFZFOTG-UHFFFAOYSA-M
EINECS of Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate (CAS NO.3546-29-0) : 222-595-8
1. | ipr-mus LDLo:300 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 75 (1955),885. |
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate (CAS NO.3546-29-0) is also called Thialbarbital sodium ; Intranarcon ; Intranarcone ; Kemithal ; Sodium allylcyclohexenylthiobarbiturate ; Thialbarbital sodium ; Thialbarbitone sodium ; UNII-RHK739S84F ; 4,6(1H,5H)-Pyrimidinedione, 5-(2-cyclohexen-1-yl)dihydro-5-(2-propenyl)-2-thioxo-, monosodium salt ; Barbituric acid, 5-allyl-5-(2-cyclohexen-1-yl)-2-thio-, sodium salt . Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate (CAS NO.3546-29-0) is moderate toxic. It is flammable. It will produce toxic nitrogen oxides, sulfur oxides and sodium oxide smoke when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate (CAS NO.3546-29-0) separate from oxidants.