-
Name
5-Allyl-5-(1-methylallyl)-2-sodiothio-4,6(1H,5H)-pyrimidinedione
- EINECS
- CAS No. 66941-77-3
- Density g/cm3
- Solubility
- Melting Point
- Formula C11H13N2O2S•Na
- Boiling Point °Cat760mmHg
- Molecular Weight 260.31
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx, Na2O, and NOx. See also BARBITURATES and ALLYL COMPOUNDS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 100.10000
- LogP 1.32620
5-ALLYL-5-(1-METHYLALLYL)-2-THIO BARBITURIC ACID SODIUM SALT Chemical Properties
Product Name: 5-Allyl-5-(1-methylallyl)-2-thiobarbituric acid sodium salt (CAS NO.66941-77-3)
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Molecular Formula: C11H13N2O2S•Na
Molecular Weight: 260.31g/mol
Mol File: 66941-77-3.mol
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: sodium 5-but-3-en-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Canonical SMILES: CC(C=C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]
InChI: InChI=1S/C11H14N2O2S.Na/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15;/h4-
5,7H,1-2,6H2,3H3,(H2,12,13,14,15,16);/q;+1/p-1
InChIKey: GRDNWFXUKBSXGR-UHFFFAOYSA
5-ALLYL-5-(1-METHYLALLYL)-2-THIO BARBITURIC ACID SODIUM SALT Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | intravenous | 58mg/kg (58mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945. |
| rat | LD50 | intraperitoneal | 126mg/kg (126mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945. |
5-ALLYL-5-(1-METHYLALLYL)-2-THIO BARBITURIC ACID SODIUM SALT Safety Profile
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx, Na2O, and NOx. See also BARBITURATES and ALLYL COMPOUNDS.
5-ALLYL-5-(1-METHYLALLYL)-2-THIO BARBITURIC ACID SODIUM SALT Specification
5-Allyl-5-(1-methylallyl)-2-thiobarbituric acid sodium salt ,its CAS NO. is 66941-77-3,the synonyms is Barbituric acid, 5-allyl-5-(1-methylallyl)-2-thio-, sodium salt .
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