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2-Pyridinethiol

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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 Molecular Structure of 73018-10-7 (2-MERCAPTOPYRIDINE) Hazard Symbols IrritantXi
Synonyms

2-Pyridinethiol;Pyridin-2-thiol;Pyridine-2(1H)-thione;

Article Data 64

2-Pyridinethiol Specification

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

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