- 5-Pyrimidinecarboxylic acid
- 5-Pyrimidinecarboxylic acid, 1,2-dihydro-4-methyl-2-oxo-6-phenyl-, ethyl ester
- 5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 1,6-dihydro-6-oxo-2-(trifluoromethyl)-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 2-amino-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 2-amino-1,4-dihydro-4-oxo-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 2-amino-4-(trifluoromethyl)-, ethyl ester
- 5-Pyrimidinecarboxylicacid, 2-amino-4-propyl-, ethyl ester
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Cas Database |
| Name |
5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, ethyl ester |
EINECS | N/A |
| CAS No. | 7234-25-5 | Density | 1.13 g/cm3 |
| PSA | 77.38000 | LogP | 1.68360 |
| Solubility | N/A | Melting Point |
59-60 °C |
| Formula | C18H22N2O | Boiling Point | 445.6 °C at 760 mmHg |
| Molecular Weight | 212.27 | Flash Point | 223.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 20/22 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate;5-Pyrimidinecarboxylic acid,4-methyl-2-(methylthio)-,ethyl ester;1-benzyl-6,8-dimethyl-7-oxo-1-azaspiro[4.4]nonane-9-carbonitrile;S-7HNa;ethyl 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate;S-7;Ethyl 2-methylthio-4-5-pyrimidinecarboxylate;Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate;S 7 (virucide);Emtmpc; |
Article Data | 14 |
5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, ethyl ester Specification
The 5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, ethyl ester, with the CAS registry number 7234-25-5, is also known as 4-Methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester ,97%. This chemical's molecular formula is C18H22N2O and molecular weight is 282.38. What's more, its systematic name is 1-benzyl-7,9-dimethyl-8-oxo-1-azaspiro[4.4]nonane-6-carbonitrile.
Physical properties of 5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, ethyl ester are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 14.91; (7)ACD/KOC (pH 5.5): 7.09; (8)ACD/KOC (pH 7.4): 210.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 82.11 cm3; (15)Molar Volume: 248.6 cm3; (16)Polarizability: 32.55×10-24 cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 223.3 °C; (20)Enthalpy of Vaporization: 70.37 kJ/mol; (21)Boiling Point: 445.6 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C3C(C1(N(CCC1)Cc2ccccc2)C(C#N)C3C)C
(2)InChI: InChI=1/C18H22N2O/c1-13-16(11-19)18(14(2)17(13)21)9-6-10-20(18)12-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-10,12H2,1-2H3
(3)InChIKey: MLNZKBJDHXTXMF-UHFFFAOYAG
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