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Name |
Thieno[2,3-d]pyrimidine,4-chloro-5-(4-methylphenyl)- |
EINECS | N/A |
CAS No. | 374104-63-9 | Density | 1.351 g/cm3 |
PSA | 54.02000 | LogP | 4.32010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H9ClN2S | Boiling Point | 425.6 °C at 760 mmHg |
Molecular Weight | 260.747 | Flash Point | 211.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-5-p-tolyl-thieno[2,3-d]pyrimidine;4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine;4-chloro-5-(4-methylphenyl)thieno[2,3-{d}]pyrimidine; |
Article Data | 6 |
The Thieno[2,3-d]pyrimidine,4-chloro-5-(4-methylphenyl)-, with the CAS registry number 374104-63-9, is also known as 4-Chloro-5-p-tolyl-thieno[2,3-d]pyrimidine. This chemical's molecular formula is C13H9ClN2S and molecular weight is 260.74. What's more, its systematic name is 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.
Physical properties of Thieno[2,3-d]pyrimidine,4-chloro-5-(4-methylphenyl)- are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.02 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 72.97 cm3; (9)Molar Volume: 192.9 cm3; (10)Polarizability: 28.92×10-24 cm3; (11)Surface Tension: 56.6 dyne/cm; (12)Density: 1.351 g/cm3; (13)Flash Point: 211.2 °C; (14)Enthalpy of Vaporization: 65.39 kJ/mol; (15)Boiling Point: 425.6 °C at 760 mmHg; (16)Vapour Pressure: 4.69E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc2ncnc1scc(c12)c3ccc(cc3)C
(2)InChI: InChI=1/C13H9ClN2S/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(14)15-7-16-13/h2-7H,1H3
(3)InChIKey: IJQIOVCRRZEROH-UHFFFAOYAA