4-Pyrimidinol, 2-(methylthio)- supplier

Name
4-Pyrimidinol, 2-(methylthio)- (9CI)
EINECS
CAS No. 124700-70-5
Article Data11
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₅H₆N₂OS
Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 142.181
Flash Point 136 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyrimidinol, 2-(methylthio)- (9CI)
PSA 71.31000
LogP 0.90410

4-Pyrimidinol, 2-(methylthio)- Specification

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

Product Name

4-Pyrimidinol, 2-(methylthio)- (9CI)

4-Pyrimidinol, 2-(methylthio)- Specification

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