Basic Information | Post buying leads | Suppliers |
Name |
Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]- |
EINECS | N/A |
CAS No. | 433242-31-0 | Density | 1.27 g/cm3 |
PSA | 88.38000 | LogP | 1.65860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12N2O2S | Boiling Point | 372.1 °C at 760 mmHg |
Molecular Weight | 212.27 | Flash Point | 178.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
ZINC00304741; |
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