Thieno[2,3-d]pyrimidine-4(3H)-thione,5-(4-methylphenyl)- supplier

Name
5-(4-METHYLPHENYL)THIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE
EINECS
CAS No. 307512-34-1
Article Data1
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀N₂S₂
Boiling Point 418.5 °C at 760 mmHg
Molecular Weight 258.36
Flash Point 206.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thieno[2,3-d]pyrimidine-4(1H)-thione,5-(4-methylphenyl)- (9CI);5-(4-Methylphenyl)thieno[2,3-d]pyrimidine-4(3H)-thione;5-(4-Methylphenyl)thieno[2,3-d]pyrimidine-4-thiol;Thieno[2,3-d]pyrimidine-4-thiol,5-(4-methylphenyl)-;
PSA 92.82000
LogP 3.95540

Thieno[2,3-d]pyrimidine-4(3H)-thione,5-(4-methylphenyl)- Specification

The Thieno[2,3-d]pyrimidine-4(3H)-thione,5-(4-methylphenyl)- with CAS registry number of 307512-34-1 is also known as Thieno[2,3-d]pyrimidine-4-thiol,5-(4-methylphenyl)-. The systematic name is 5-(4-Methylphenyl)thieno[2,3-d]pyrimidine-4(3H)-thione. In addition, the formula is C₁₃H₁₀N₂S₂ and the molecular weight is 258.36.

Physical properties about Thieno[2,3-d]pyrimidine-4(3H)-thione,5-(4-methylphenyl)- are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 0.36; (4)ACD/BCF (pH 5.5): 1.2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.67; (7)ACD/KOC (pH 7.4): 1.44; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.74; (12)Molar Refractivity: 75.86 cm³; (13)Molar Volume: 188.1 cm³; (14)Surface Tension: 50.8 dyne/cm; (15)Density: 1.37 g/cm³; (16)Flash Point: 206.9 °C; (17)Enthalpy of Vaporization: 67.21 kJ/mol; (18)Boiling Point: 418.5 °C at 760 mmHg; (19)Vapour Pressure: 3.25E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: S=C2N/C=N\c1scc(c12)c3ccc(cc3)C
2. InChI: InChI=1/C13H10N2S2/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(16)14-7-15-13/h2-7H,1H3,(H,14,15,16)
3. InChIKey: HHXOKTMWDMZDKB-UHFFFAOYAB
4. Std. InChI: InChI=1S/C13H10N2S2/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(16)14-7-15-13/h2-7H,1H3,(H,14,15,16)
5. Std. InChIKey: HHXOKTMWDMZDKB-UHFFFAOYSA-N

Product Name

5-(4-METHYLPHENYL)THIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE

Thieno[2,3-d]pyrimidine-4(3H)-thione,5-(4-methylphenyl)- Specification

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