Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]- supplier

Name
2-(4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-PROPIONIC ACID
EINECS
CAS No. 433242-31-0
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂O₂S
Boiling Point 372.1 °C at 760 mmHg
Molecular Weight 212.27
Flash Point 178.9 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms ZINC00304741;
PSA 88.38000
LogP 1.65860

Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]- Specification

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

Product Name

2-(4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-PROPIONIC ACID

Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]- Specification

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