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Name |
4-Chloro-6-iodothieno[3,2-d]pyrimidine |
EINECS | N/A |
CAS No. | 225382-62-7 | Density | 2.221 g/cm3 |
PSA | 54.02000 | LogP | 2.94930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H2ClIN2S | Boiling Point | 369.063 °C at 760 mmHg |
Molecular Weight | 296.519 | Flash Point | 177.003 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
RW2791 |
Article Data | 9 |
The 4-Chloro-6-iodothieno[3,2-d]pyrimidine, with CAS registry number 225382-62-7, has the systematic name of 4-Chloro-6-iodothieno[3,2-d]pyrimidine. Besides this, it is also called Thieno[3,2-d]pyrimidine, 4-chloro-6-iodo-. And the chemical formula of this chemical is C6H2ClIN2S.
Physical properties of 4-Chloro-6-iodothieno[3,2-d]pyrimidine: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.807; (4)ACD/LogD (pH 7.4): 2.807; (5)ACD/BCF (pH 5.5): 80.027; (6)ACD/BCF (pH 7.4): 80.028; (7)ACD/KOC (pH 5.5): 801.584; (8)ACD/KOC (pH 7.4): 801.587; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.789; (14)Molar Refractivity: 56.464 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 22.384×10-24cm3; (17)Surface Tension: 75.899 dyne/cm; (18)Density: 2.221 g/cm3; (19)Flash Point: 177.003 °C; (20)Enthalpy of Vaporization: 59.16 kJ/mol; (21)Boiling Point: 369.063 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(c(ncn2)Cl)sc1I
(2)InChI: InChI=1/C6H2ClIN2S/c7-6-5-3(9-2-10-6)1-4(8)11-5/h1-2H
(3)InChIKey: HLXTYHBQAVCTSJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H2ClIN2S/c7-6-5-3(9-2-10-6)1-4(8)11-5/h1-2H
(5)Std. InChIKey: HLXTYHBQAVCTSJ-UHFFFAOYSA-N