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Thieno[3,2-d]pyrimidine,7-bromo-4-chloro- (31169-27-4)

Identification
Name:Thieno[3,2-d]pyrimidine,7-bromo-4-chloro-
Synonyms:Thieno[3,2-d]pyrimidine, 7-bromo-4-chloro-;7-Bromo-4-chlorothieno[3,2-d]pyrimidine;
CAS:31169-27-4
Molecular Formula: C6H2BrClN2S
Molecular Weight: 249.51
InChI: InChI=1S/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
Molecular Structure: (C6H2BrClN2S) Thieno[3,2-d]pyrimidine, 7-bromo-4-chloro-;7-Bromo-4-chlorothieno[3,2-d]pyrimidine;
Properties
Density:1.955g/cm3
Specification:

The 7-Bromo-4-chlorothieno[3,2-d]pyrimidine, with CAS registry number 31169-27-4, belongs to the following product categories: CHIRAL CHEMICALS. Its systematic name and IUPAC name are the same, which is 7-bromo-4-chlorothieno[3,2-d]pyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 220; (6)ACD/BCF (pH 7.4): 220; (7)ACD/KOC (pH 5.5): 1654; (8)ACD/KOC (pH 7.4): 1654; (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: 1.736; (14)Molar Refractivity: 51.247 cm3; (15)Molar Volume: 127.612 cm3; (16)Polarizability: 20.316×10-24cm3; (17)Surface Tension: 69.854 dyne/cm; (18)Enthalpy of Vaporization: 56.621 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc2ncnc1c2scc1Br
(2)InChI: InChI=1/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
(3)InChIKey: LJFZDPZIIKOATA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
(5)Std. InChIKey: LJFZDPZIIKOATA-UHFFFAOYSA-N

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