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Name |
4-Pyrimidinol, 2-(methylthio)- |
EINECS | N/A |
CAS No. | 124700-70-5 | Density | 1.35 g/cm3 |
PSA | 71.31000 | LogP | 0.90410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H6N2OS | Boiling Point | 301.2 °C at 760 mmHg |
Molecular Weight | 142.181 | Flash Point | 136 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Pyrimidinol, 2-(methylthio)- (9CI) |
Article Data | 11 |
This chemical is called 4-Pyrimidinol, 2-(methylthio)-, and its systematic name is 2-(methylsulfanyl)pyrimidin-4(3H)-one. With the molecular formula of C5H6N2OS, its molecular weight is 142.18. The CAS registry number of this chemical is 124700-70-5.
Other characteristics of the 4-Pyrimidinol, 2-(methylthio)- can be summarised as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.91; (8)ACD/KOC (pH 7.4): 23.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.97 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 37.62 cm3; (15)Molar Volume: 104.5 cm3; (16)Polarizability: 14.91×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 136 °C; (20)Enthalpy of Vaporization: 56.3 kJ/mol; (21)Boiling Point: 301.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000597 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1/C=C\N=C(\SC)N1
2.InChI: InChI=1/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)
3.InChIKey: UYHSQVMHSFXUOA-UHFFFAOYAO