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

Name
4-(4-Chlorophenyl)pyrimidine-2-thiol
EINECS
CAS No. 175203-08-4
Article Data3
CAS DataBase
Density 1.35 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(4-Chlorophenyl)pyrimidine-2-thiol, 97%;
PSA 64.58000
LogP 3.08570

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

Product Name

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

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

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