Thieno[2,3-d]pyrimidin-4(1H)-one,5-methyl-6-phenyl- supplier

Name
5-METHYL-6-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-OL
EINECS
CAS No. 306934-76-9
Article Data2
CAS DataBase
Density 1.37g/cm³
Solubility
Melting Point 247-249 °C
Formula C₁₃H₁₀N₂OS
Boiling Point 484.8 °C at 760 mmHg
Molecular Weight 242.301
Flash Point 247 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Hydroxy-5-methyl-6-phenylthieno[2,3-d]pyrimidine;
PSA 74.25000
LogP 3.37230

Thieno[2,3-d]pyrimidin-4(1H)-one,5-methyl-6-phenyl- Specification

The Thieno[2,3-d]pyrimidin-4(1H)-one,5-methyl-6-phenyl-, with the CAS registry number 306934-76-9, is also known as 4-Hydroxy-5-methyl-6-phenylthieno[2,3-d]pyrimidine. This chemical's molecular formula is C₁₃H₁₀N₂OS and molecular weight is 242.2963. Its systematic name is called 5-methyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Thieno[2,3-d]pyrimidin-4(1H)-one,5-methyl-6-phenyl-: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.99; (5)ACD/BCF (pH 7.4): 77.94; (6)ACD/KOC (pH 5.5): 786.92; (7)ACD/KOC (pH 7.4): 786.44; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.714; (12)Molar Refractivity: 69.39 cm³; (13)Molar Volume: 176.7 cm³; (14)Surface Tension: 54 dyne/cm; (15)Density: 1.37 g/cm³; (16)Flash Point: 247 °C; (17)Enthalpy of Vaporization: 75.02 kJ/mol; (18)Boiling Point: 484.8 °C at 760 mmHg; (19)Vapour Pressure: 1.49E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2c(c(sc2/N=C\N1)c3ccccc3)C
(2)InChI: InChI=1/C13H10N2OS/c1-8-10-12(16)14-7-15-13(10)17-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,16)
(3)InChIKey: CTVQYCYDAHDMBF-UHFFFAOYAQ

Product Name

5-METHYL-6-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-OL

Thieno[2,3-d]pyrimidin-4(1H)-one,5-methyl-6-phenyl- Specification

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