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4-(4-Chlorophenyl)pyrimidine-2-thiol

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Name

4-(4-Chlorophenyl)pyrimidine-2-thiol

EINECS N/A
CAS No. 175203-08-4 Density 1.35 g/cm3
PSA 64.58000 LogP 3.08570
Solubility N/A Melting Point 210 °C
Formula C10H7ClN2S Boiling Point 357.1 °C at 760 mmHg
Molecular Weight 222.69 Flash Point 169.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175203-08-4 (4-(4-Chlorophenyl)pyrimidine-2-thiol) Hazard Symbols IrritantXi
Synonyms

4-(4-Chlorophenyl)pyrimidine-2-thiol, 97%;

Article Data 3

4-(4-Chlorophenyl)pyrimidine-2-thiol Specification

This chemical is called 4-(4-Chlorophenyl)pyrimidine-2-thiol, and its systematic name is 6-(4-chlorophenyl)pyrimidine-2(1H)-thione. With the molecular formula of C10H7ClN2S, its molecular weight is 222.69. The CAS registry number of this chemical is 175203-08-4.

Other characteristics of the 4-(4-Chlorophenyl)pyrimidine-2-thiol can be summarised as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 13.71; (6)ACD/BCF (pH 7.4): 6.03; (7)ACD/KOC (pH 5.5): 225.68; (8)ACD/KOC (pH 7.4): 99.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.69 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 61.56 cm3; (15)Molar Volume: 163.9 cm3; (16)Polarizability: 24.4×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 169.8 °C; (20)Enthalpy of Vaporization: 60.25 kJ/mol; (21)Boiling Point: 357.1 °C at 760 mmHg; (22)Vapour Pressure: 2.79E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C2/N=C\C=C(\c1ccc(Cl)cc1)N2
2.InChI: InChI=1/C10H7ClN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
3.InChIKey: TWKIWOOKHPWUIM-UHFFFAOYAS

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