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CAS No.: | 307512-33-0 |
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Name: | 5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8N2S2 |
Molecular Weight: | 196.29 |
Synonyms: | Thieno[2,3-d]pyrimidine-4(1H)-thione,5,6-dimethyl- (9CI); |
Density: | 1.45 g/cm3 |
Melting Point: | 238-244℃ |
Boiling Point: | 357.9 °C at 760 mmHg |
Flash Point: | 170.2 °C |
PSA: | 89.01000 |
LogP: | 2.97070 |
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The Thieno[2,3-d]pyrimidine-4(3H)-thione,5,6-dimethyl-, with the CAS registry number 307512-33-0, is also known as Thieno[2,3-d]pyrimidine-4-thiol, 5,6-dimethyl-. This chemical's molecular formula is C8H8N2S2 and molecular weight is 196.29. Its systematic name is called 5,6-dimethylthieno[2,3-d]pyrimidine-4(3H)-thione.
Physical properties of Thieno[2,3-d]pyrimidine-4(3H)-thione,5,6-dimethyl-: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): -0.13; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.84; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.752; (11)Molar Refractivity: 55.18 cm3; (12)Molar Volume: 135.1 cm3; (13)Surface Tension: 48.4 dyne/cm; (14)Density: 1.45 g/cm3; (15)Flash Point: 170.2 °C; (16)Enthalpy of Vaporization: 60.33 kJ/mol; (17)Boiling Point: 357.9 °C at 760 mmHg; (18)Vapour Pressure: 2.65E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1c2c(c(sc2/N=C\N1)C)C
(2)InChI: InChI=1/C8H8N2S2/c1-4-5(2)12-8-6(4)7(11)9-3-10-8/h3H,1-2H3,(H,9,10,11)
(3)InChIKey: BPXRXYWYEMPYQU-UHFFFAOYAT