Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Pyridinecarboxylic acid, 2-(propylthio)- |
EINECS | N/A |
CAS No. | 175135-22-5 | Density | 1.25 g/cm3 |
PSA | 75.49000 | LogP | 2.28190 |
Solubility | N/A | Melting Point |
159 °C |
Formula | C9H11NO2S | Boiling Point | 349.1 °C at 760 mmHg |
Molecular Weight | 197.258 | Flash Point | 164.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
2-(Propylsulfanyl)nicotinicacid;2-(Propylthio)nicotinic acid; |
Article Data | 2 |
This chemical is called 3-Pyridinecarboxylic acid, 2-(propylthio)-, and its systematic name is 2-(propylsulfanyl)pyridine-3-carboxylic acid. With the molecular formula of C9H11NO2S, its molecular weight is 197.25. The CAS registry number of this chemical is 175135-22-5.
Other characteristics of the 3-Pyridinecarboxylic acid, 2-(propylthio)- can be summarised as followings: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.51; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.49 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 52.72 cm3; (15)Molar Volume: 157 cm3; (16)Polarizability: 20.9×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 164.9 °C; (20)Enthalpy of Vaporization: 62.64 kJ/mol; (21)Boiling Point: 349.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-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: O=C(O)c1cccnc1SCCC
2.InChI: InChI=1/C9H11NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,12)
3.InChIKey: CSMDLVRDBYKTAH-UHFFFAOYAJ