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| Name |
Sodium 5-iodo-2-thiouracil |
EINECS | N/A |
| CAS No. | 3565-15-9 | Density | N/A |
| PSA | 87.64000 | LogP | 1.51370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H3IN2OS•Na | Boiling Point | 257.4°C at 760 mmHg |
| Molecular Weight | 277.04 | Flash Point | 109.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of I−, NOx, SOx, and Na2O. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | 3 |
| Synonyms |
4(1H)-Pyrimidinone, 2,3-dihydro-5-iodo-2-thioxo-, monosodium salt;5-Iodo-2-thiouracil,sodium salt;Iothiouracil sodium;Itrumil sodium;5-Iodo-2-thiouracil monosodium salt;Uracil, 5-iodo-2-thio-, sodium salt;Itrumil sodium salt;Iodothiouracil sodium;4(1H)-Pyrimidinone, 2,3-dihydro-5-iodo-2-thioxo-, monosodium salt (9CI);Sodium 5-iodo-2-thiouracil; |
Sodium 5-iodo-2-thiouracil Chemical Properties
Molecule structure of Sodium 5-iodo-2-thiouracil (CAS NO.3565-15-9) :
IUPAC Name: sodium 5-iodo-2-sulfanylidene-1H-pyrimidin-6-olate
Molecular Weight: 276.03072 g/mol
Molecular Formula: C4H2IN2NaOS
Boiling Point: 257.4 °C at 760 mmHg
Flash Point: 109.5 °C
Enthalpy of Vaporization: 57.49 kJ/mol
Vapour Pressure: 0.00217 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 3
Exact Mass: 275.883021
MonoIsotopic Mass: 275.883021
Topological Polar Surface Area: 47.5
Heavy Atom Count: 10
Complexity: 215
Canonical SMILES: C1=NC(=S)NC(=C1I)[O-].[Na+]
InChI: InChI=1S/C4H3IN2OS.Na/c5-2-1-6-4(9)7-3(2)8;/h1H,(H2,6,7,8,9);/q;+1/p-1
InChIKey of Sodium 5-iodo-2-thiouracil (CAS NO.3565-15-9) : IOCJWKUNNXDZIX-UHFFFAOYSA-M
Sodium 5-iodo-2-thiouracil Toxicity Data With Reference
| 1. | orl-rat TDLo:30 g/kg/43W-C:ETA | CANCAR Cancer. 10 (1957),690. |
Sodium 5-iodo-2-thiouracil Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of I−, NOx, SOx, and Na2O.
Sodium 5-iodo-2-thiouracil Specification
Sodium 5-iodo-2-thiouracil (CAS NO.3565-15-9) is also called Iothiouracil sodium ; 5-Iodo-2-thiouracil monosodium salt ; 5-Iodo-2-thiouracil, sodium salt ; Iodothiouracil sodium ; Itrumil sodium ; Itrumil sodium salt ; UNII-Y3779XL39I ;
4(1H)-Pyrimidinone, 2,3-dihydro-5-iodo-2-thioxo-, monosodium salt ; 4(1H)-Pyrimidinone, 2,3-dihydro-5-iodo-2-thioxo-,
monosodium salt (9CI) .
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