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Basic Information
CAS No.: 35970-79-7
Name: 4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDINE
Article Data: 8
Molecular Structure:
Molecular Structure of 35970-79-7 (4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDINE)
Formula: C12H7ClN2S
Molecular Weight: 246.72
Synonyms: 4-Chloro-6-phenylthieno[2,3-d]pyrimidine;
Density: 1.396 g/cm3
Melting Point: 139 - 140ºC
Boiling Point: 417.4 °C at 760 mmHg
Flash Point: 206.3 °C
Appearance: white solid.
Hazard Symbols: 36/37/38:;
Risk Codes:  Xi:;
">  Xi:;
Safety: 26-45
PSA: 54.02000
LogP: 4.01170
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Specification

The Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- is an organic compound with the formula C12H7ClN2S. The IUPAC name of this chemical is 4-chloro-6-phenylthieno[2,3-d]pyrimidine. With the CAS registry number 35970-79-7, it is also named as 4-chloro-2-phenylthieno[2,3-d]pyrimidine.

Physical properties about Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- are: (1)ACD/LogP: 3.55; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 54.02 Å2; (5)Index of Refraction: 1.698; (6)Molar Refractivity: 68.14 cm3; (7)Molar Volume: 176.7 cm3; (8)Polarizability: 27.01×10-24cm3; (9)Surface Tension: 59.9 dyne/cm; (10)Density: 1.396 g/cm3; (11)Flash Point: 206.3 °C; (12)Enthalpy of Vaporization: 64.48 kJ/mol; (13)Boiling Point: 417.4 °C at 760 mmHg; (14)Vapour Pressure: 8.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1sc(cc12)c3ccccc3
(2)InChI: InChI=1/C12H7ClN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
(3)InChIKey: WJFATWIQZZNARY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H7ClN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
(5)Std. InChIKey: WJFATWIQZZNARY-UHFFFAOYSA-N