Basic information
- Name:
Pyrimidine,4-iodo-2-(methylthio)-
- CAS No.:
1122-74-3
- Molecular Structure:
- Formula:
- C5H5IN2S
- Molecular Weight:
- 252.08
- Synonyms:
- 2-Methylthio-4-iodopyrimidine;4-Iodo-2-(methylsulfanyl)pyrimidine;4-Iodo-2-(methylthio)pyrimidine;
- Density:
- 2 g/cm3
- Boiling Point:
- 307 °C at 760 mmHg
- Flash Point:
- 139.4 °C
- Hazard Symbols:
Xi,
Xn
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Specification
The Pyrimidine,4-iodo-2-(methylthio)- is an organic compound with the formula C5H5IN2S. The systematic name of this chemical is 4-iodo-2-(methylsulfanyl)pyrimidine. With the CAS registry number 1122-74-3, it is also named as 4-Iodo-2-methylsulfanyl-pyrimidine. The product's categories are Pyrimidine; Building Blocks.
Physical properties about Pyrimidine,4-iodo-2-(methylthio)- are: (1)ACD/LogP: 2.04; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 51.08 Å2; (5)Index of Refraction: 1.687; (6)Molar Refractivity: 47.91 cm3; (7)Molar Volume: 125.7 cm3; (8)Polarizability: 18.99×10-24cm3; (9)Surface Tension: 68 dyne/cm; (10)Density: 2 g/cm3; (11)Flash Point: 139.4 °C; (12)Enthalpy of Vaporization: 52.57 kJ/mol; (13)Boiling Point: 307 °C at 760 mmHg; (14)Vapour Pressure: 0.00135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1nc(SC)ncc1
(2)InChI: InChI=1/C5H5IN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
(3)InChIKey: SECBGKYJKCNDID-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H5IN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
(5)Std. InChIKey: SECBGKYJKCNDID-UHFFFAOYSA-N