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4-(2-Thienyl)pyrimidine-2-thiol

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Name

4-(2-Thienyl)pyrimidine-2-thiol

EINECS N/A
CAS No. 175202-75-2 Density 1.41 g/cm3
PSA 92.82000 LogP 2.49380
Solubility N/A Melting Point 206 °C
Formula C8H6N2S2 Boiling Point 344.4 °C at 760 mmHg
Molecular Weight 194.28 Flash Point 162.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38-36-22
Molecular Structure Molecular Structure of 175202-75-2 (4-(2-Thienyl)pyrimidine-2-thiol) Hazard Symbols R20/21/22-36/37/38:;
Synonyms

2-Mercapto-4-(thien-2-yl)pyrimidine;

 

4-(2-Thienyl)pyrimidine-2-thiol Specification

The 4-(2-Thienyl)pyrimidine-2-thiol, with the CAS registry number 175202-75-2, is also known as 2-Mercapto-4-(thien-2-yl)pyrimidine. This chemical's molecular formula is C8H6N2S2 and molecular weight is 194.28. What's more, its systematic name is called 6-Thiophen-2-ylpyrimidine-2(1H)-thione.

Physical properties about 4-(2-Thienyl)pyrimidine-2-thiol are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 1.64; (7)ACD/KOC (pH 5.5): 73.37; (8)ACD/KOC (pH 7.4): 42.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 75.93 Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 55.55 cm3; (15)Molar Volume: 136.8 cm3; (16)Surface Tension: 54.2 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 162.1 °C; (19)Enthalpy of Vaporization: 58.84 kJ/mol; (20)Boiling Point: 344.4 °C at 760 mmHg; (21)Vapour Pressure: 6.6E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. 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\N=C/C=C(\N1)c2sccc2
(2) InChI: InChI=1/C8H6N2S2/c11-8-9-4-3-6(10-8)7-2-1-5-12-7/h1-5H,(H,9,10,11)
(3) InChIKey: IPUPBWKUWAKTQL-UHFFFAOYAC

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