2-(Methylthio)pyrimidine-5-carbaldehyde supplier

Name
2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
EINECS
CAS No. 90905-31-0
Article Data3
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point 83-84 °C(Solv: cyclohexane (110-82-7))
Formula C₆H₆N₂OS
Boiling Point 301.214 °C at 760 mmHg
Molecular Weight 154.192
Flash Point 135.97 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22-43
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Methylthio)pyrimidine-5-carboxaldehyde;2-Methylsulfanylpyrimidine-5-carboxaldehyde;
PSA 68.15000
LogP 1.01100

2-(Methylthio)pyrimidine-5-carbaldehyde Specification

The 2-(Methylthio)pyrimidine-5-carbaldehyde, with the CAS registry number 90905-31-0, is also known as 2-(Methylsulfanyl)-5-pyrimidinecarbaldehyde. It belongs to the product category of Pyrimidines. This chemical's molecular formula is C₆H₆N₂OS and molecular weight is 154.19. What's more, its IUPAC name is called 2-Methylsulfanylpyrimidine-5-carbaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-(Methylthio)pyrimidine-5-carbaldehyde are: (1)ACD/LogP: 0.382; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.44; (8)ACD/KOC (pH 7.4): 38.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.15 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 39.958 cm³; (15)Molar Volume: 119.504 cm³; (16)Polarizability: 15.84×10^-24cm³; (17)Surface Tension: 61.263 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 135.97 °C; (20)Enthalpy of Vaporization: 54.134 kJ/mol; (21)Boiling Point: 301.214 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CSc1ncc(cn1)C=O
(2) InChI: InChI=1S/C6H6N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3
(3) InChIKey: OERITKQWELOJBM-UHFFFAOYSA-N

Product Name

2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE

2-(Methylthio)pyrimidine-5-carbaldehyde Specification

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