4-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]aniline supplier

Name
2-CHLORO-6-(TRIFLUOROMETHYL)NICOTINIC ACID
EINECS
CAS No. 102243-12-9
Article Data2
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 176-180 °C
Formula C₁₂H₁₃N₃S
Boiling Point 462.2 °C at 760 mmHg
Molecular Weight 231.321
Flash Point 233.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenamine, 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-;
PSA
LogP

4-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]aniline Specification

The 4-[(4, 6-Dimethylpyrimidin-2-yl)sulfanyl]aniline, with the CAS registry number 102243-12-9, is also known as Benzenamine, 4-[(4, 6-dimethyl-2-pyrimidinyl)thio]-. This chemical's molecular formula is C₁₂H₁₃N₃S and molecular weight is 231.32. What's more, its IUPAC name is 4-(4, 6-Dimethylpyrimidin-2-yl)sulfanylaniline. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-[(4, 6-Dimethylpyrimidin-2-yl)sulfanyl]aniline are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 19.87; (6)ACD/BCF (pH 7.4): 20.07; (7)ACD/KOC (pH 5.5): 294.92; (8)ACD/KOC (pH 7.4): 297.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.32 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 67.93 cm³; (15)Molar Volume: 185.4 cm³; (16)Polarizability: 26.93×10^-24 cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 233.3 °C; (20)Enthalpy of Vaporization: 72.32 kJ/mol; (21)Boiling Point: 462.2 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1ccc(N)cc1)c2nc(cc(n2)C)C
(2) InChI: InChI=1/C12H13N3S/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
(3) InChIKey: FPLNYQRUEFPJPX-UHFFFAOYAF

Product Name

2-CHLORO-6-(TRIFLUOROMETHYL)NICOTINIC ACID

4-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]aniline Specification

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