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4-Chloro-6-iodothieno[3,2-d]pyrimidine

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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 Molecular Structure of 225382-62-7 (4-CHLORO-6-IODO-THIENO[3,2-D]PYRIMIDINE) Hazard Symbols N/A
Synonyms

RW2791

Article Data 9

4-Chloro-6-iodothieno[3,2-d]pyrimidine Specification

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

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