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1122-74-3

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CAS No.: 1122-74-3
Name: 4-IODO-2-(METHYLTHIO)PYRIMIDINE
Article Data: 23
Molecular Structure:
Molecular Structure of 1122-74-3 (4-IODO-2-(METHYLTHIO)PYRIMIDINE)
Formula: C5H5IN2S
Molecular Weight: 252.079
Synonyms: 2-Methylthio-4-iodopyrimidine;4-Iodo-2-(methylsulfanyl)pyrimidine;4-Iodo-2-(methylthio)pyrimidine;
Density: 2 g/cm3
Melting Point: 45-47 °C
Boiling Point: 307 °C at 760 mmHg
Flash Point: 139.4 °C
Appearance: Yellow power
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes:  Xi,Xn:;
">  Xi,Xn:;
Safety: 26
PSA: 51.08000
LogP: 1.80310
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  • 4-lodo-2-(Methylthio)pyriMidine

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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