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| Name |
5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid |
EINECS | N/A |
| CAS No. | 66941-60-4 | Density | 1.29g/cm3 |
| PSA | 97.27000 | LogP | 1.59780 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H14N2O2S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 250.34 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also BARBITURATES and ALLYL COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Allyl-5-cyclopent-2-enyl-2-thio-barbitursaeure;5-allyl-5-cyclopent-2-enyl-2-thio-barbituric acid; |
5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid Chemical Properties
Product Name: 5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid (CAS NO.66941-60-4)
Molecular Formula: C12H14N2O2S
Molecular Weight: 250.34g/mol
Mol File: 66941-60-4.mol
Density: 1.29 g/cm3
Surface Tension: 58.6 dyne/cm
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 2
IUPAC Name: 5-cyclopent-2-en-1-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,
6-dione
Canonical SMILES: C=CCC1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI: InChI=1S/C12H14N2O2S/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-
3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)
InChIKey: QCARJOPGJNPBPJ-UHFFFAOYSA-N
5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Journal of the American Chemical Society. Vol. 65, Pg. 2091, 1943. | |
| rat | LD50 | intravenous | 100mg/kg (100mg/kg) | Journal of the American Chemical Society. Vol. 65, Pg. 2091, 1943. |
5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid Safety Profile
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also BARBITURATES and ALLYL COMPOUNDS.
5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid Specification
5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid ,its CAS NO. is 66941-60-4,the synonyms is 4-24-00-02066 (Beilstein Handbook Reference) ; BRN 0234281 ; Barbituric acid, 5-allyl-5-(2-cyclopentenyl)-2-thio- .
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