Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]- supplier

Name
pyrante
EINECS 239-774-1
CAS No. 15686-83-6
Density 1.13 g/cm³
Solubility
Melting Point 178-179oC
Formula C₁₁H₁₄N₂S
Boiling Point 324.4 °C at 760 mmHg
Molecular Weight 206.312
Flash Point 150 °C
Transport Information
Appearance yellowish crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-, (E)-;Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]-,(E)- (8CI);1,4,5,6-Tetrahydro-1-methyl-2-[trans-2-(2-thienyl)vinyl]pyrimidine;Pyrantel;Pyrequan;? Pyrantel;
PSA 158.90000
LogP 6.26020

Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]- Specification

The Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]- is an organic compound with the formula C₁₁H₁₄N₂S. The IUPAC name of this chemical is 1-Methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine. With the CAS registry number 15686-83-6, it is also named as Pyrantel. Besides, its molecular weight is 206.3073.

Physical properties about Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]- are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): -0.49; (3)ACD/LogD (pH 7.4): -0.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.58; (7)ACD/KOC (pH 7.4): 1.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.84 Å²; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 62.77 cm³; (13)Molar Volume: 181.7 cm³; (14)Polarizability: 24.88×10^-24 cm³; (15)Surface Tension: 42.9 dyne/cm; (16)Density: 1.13 g/cm³; (17)Flash Point: 150 °C; (18)Enthalpy of Vaporization: 56.64 kJ/mol; (19)Boiling Point: 324.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000246 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3
(2)InChIKey: YSAUAVHXTIETRK-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3
(4)Std. InChIKey: YSAUAVHXTIETRK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	oral	2gm/kg (2000mg/kg)	Antibiotics and Chemotherapy Vol. 30, Pg. 1, 1981. Link to PubMed
mouse	LD50	oral	175mg/kg (175mg/kg)	Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973. Link to PubMed
rat	LD50	oral	170mg/kg (170mg/kg)	Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973. Link to PubMed

Product Name

pyrante

Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]- Specification

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