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Name |
2-Pyridinethiol |
EINECS | 220-131-9 |
CAS No. | 73018-10-7 | Density | 1.167 g/cm3 |
PSA | 51.69000 | LogP | 1.37030 |
Solubility | 50 g/L (20℃) | Melting Point |
127-130 °C(lit.) |
Formula | C5H5NS | Boiling Point | 193.988 °C at 760 mmHg |
Molecular Weight | 111.167 | Flash Point | 71.121 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Pyridinethiol;Pyridin-2-thiol;Pyridine-2(1H)-thione; |
Article Data | 64 |
The 2-Pyridinethiol, with the CAS registry number 73018-10-7, is also known as 2(1H)-Pyridinethione. It belongs to the product category of Thiol. Its EINECS registry number is 220-131-9. This chemical's molecular formula is C5H5NS and molecular weight is 111.16. What's more, its IUPAC name is called 1H-Pyridine-2-thione.
Physical properties about 2-Pyridinethiol are: (1)ACD/LogP: 1.578; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.69 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 32.52 cm3; (15)Molar Volume: 95.268 cm3; (16)Polarizability: 12.892×10-24cm3; (17)Surface Tension: 47.363 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 71.121 °C; (20)Enthalpy of Vaporization: 41.258 kJ/mol; (21)Boiling Point: 193.988 °C at 760 mmHg; (22)Vapour Pressure: 0.631 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C1/C=C\C=C/N1
(2) InChI: InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
(3) InChIKey: WHMDPDGBKYUEMW-UHFFFAOYSA-N