Phenol,4-[(4,6-dimethyl-2-pyrimidinyl)thio]- supplier

Name
4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)THIO]PHENOL
EINECS
CAS No. 107718-34-3
Article Data1
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point 192-193
Formula C₁₂H₁₂N₂OS
Boiling Point 458 °C at 760 mmHg
Molecular Weight 232.30
Flash Point 230.8 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]phenol;
PSA 71.31000
LogP 2.95020

Phenol,4-[(4,6-dimethyl-2-pyrimidinyl)thio]- Specification

This chemical is called Phenol,4-[(4,6-dimethyl-2-pyrimidinyl)thio]-, and its systematic name is 4-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]phenol. With the molecular formula of C₁₂H₁₂N₂OS, its molecular weight is 232.30. The CAS registry number of the chemical is 107718-34-3.

Other characteristics of Phenol,4-[(4,6-dimethyl-2-pyrimidinyl)thio]- can be summarised as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 52.12; (6)ACD/BCF (pH 7.4): 49.94; (7)ACD/KOC (pH 5.5): 589.62; (8)ACD/KOC (pH 7.4): 564.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.31 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 65.84 cm³; (15)Molar Volume: 179.2 cm³; (16)Polarizability: 26.1×10^-24cm³; (17)Surface Tension: 66.9 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 230.8 °C; (20)Enthalpy of Vaporization: 74.58 kJ/mol; (21)Boiling Point: 458 °C at 760 mmHg; (22)Vapour Pressure: 5.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S(c1ccc(O)cc1)c2nc(cc(n2)C)C
2.InChI: InChI=1/C12H12N2OS/c1-8-7-9(2)14-12(13-8)16-11-5-3-10(15)4-6-11/h3-7,15H,1-2H3
3.InChIKey: FBCAKJCKGFHPEQ-UHFFFAOYAH
4.Std. InChI: InChI=1S/C12H12N2OS/c1-8-7-9(2)14-12(13-8)16-11-5-3-10(15)4-6-11/h3-7,15H,1-2H3
5.Std. InChIKey: FBCAKJCKGFHPEQ-UHFFFAOYSA-N

Product Name

4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)THIO]PHENOL

Phenol,4-[(4,6-dimethyl-2-pyrimidinyl)thio]- Specification

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