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CAS No.: | 433242-31-0 |
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Name: | 2-(4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-PROPIONIC ACID |
Molecular Structure: | |
Formula: | C9H12N2O2S |
Molecular Weight: | 212.27 |
Synonyms: | ZINC00304741; |
Density: | 1.27 g/cm3 |
Boiling Point: | 372.1 °C at 760 mmHg |
Flash Point: | 178.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 88.38000 |
LogP: | 1.65860 |
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The Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-, with the CAS registry number 433242-31-0, is also known as ZINC00304741. This chemical's molecular formula is C9H12N2O2S and molecular weight is 212.2688. Its systematic name is called 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): -0.65; (3)ACD/LogD (pH 7.4): -1.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 55.12 cm3; (13)Molar Volume: 166.4 cm3; (14)Surface Tension: 60.3 dyne/cm; (15)Density: 1.27 g/cm3; (16)Flash Point: 178.9 °C; (17)Enthalpy of Vaporization: 65.33 kJ/mol; (18)Boiling Point: 372.1 °C at 760 mmHg; (19)Vapour Pressure: 3.38E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Sc1nc(cc(n1)C)C)C
(2)InChI: InChI=1/C9H12N2O2S/c1-5-4-6(2)11-9(10-5)14-7(3)8(12)13/h4,7H,1-3H3,(H,12,13)
(3)InChIKey: OFYICVNRPJIHRH-UHFFFAOYAE