Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)- supplier

Name
4-CHLORO-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDINE
EINECS
CAS No. 331761-46-7
Density 1.49 g/cm³
Solubility
Melting Point 139.5-141℃
Formula C₁₂H₆Cl₂N₂S
Boiling Point 443.1 °C at 760 mmHg
Molecular Weight 281.165
Flash Point 221.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine;TCMDC-123811;MLS000590444;
PSA 54.02000
LogP 4.66510

Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)- Specification

The Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)- has the CAS registry number 331761-46-7. This chemical's molecular formula is C₁₂H₆Cl₂N₂S and molecular weight is 281.16. What's more, its systematic name is 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine.

Physical properties of Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)- are: (1)ACD/LogP: 4.12; (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: 1.701; (8)Molar Refractivity: 73.04 cm³; (9)Molar Volume: 188.6 cm³; (10)Polarizability: 28.95×10^-24cm³; (11)Surface Tension: 61.1 dyne/cm; (12)Density: 1.49 g/cm³; (13)Flash Point: 221.8 °C; (14)Enthalpy of Vaporization: 67.37 kJ/mol; (15)Boiling Point: 443.1 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)Cl
(2)InChI: InChI=1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
(3)InChIKey: QDMQHIKVIOWCGY-UHFFFAOYSA-N

Product Name

4-CHLORO-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDINE

Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)- Specification

Related Products

Hot Products