1,2,4-Triazine,3-(methylthio)-5-phenyl- supplier

Name
3-methylsulfanyl-5-phenyl-1,2,4-triazine
EINECS
CAS No. 28735-27-5
Article Data10
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₀H₉N₃S
Boiling Point 409.3 °Cat760mmHg
Molecular Weight 203.268
Flash Point 201.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms as-Triazine,3-(methylthio)-5-phenyl- (6CI,8CI);3-(Methylthio)-5-phenyl-1,2,4-triazine;NSC146049;
PSA 63.97000
LogP 2.26050

1,2,4-Triazine,3-(methylthio)-5-phenyl- Specification

This chemical is called 1,2,4-Triazine,3-(methylthio)-5-phenyl-, and its systematic name is 3-(methylsulfanyl)-5-phenyl-1,2,4-triazine. With the molecular formula of C₁₀H₉N₃S, its molecular weight is 203.26. The CAS registry number of this chemical is 28735-27-5. Additionally, its classification code is Drug / Therapeutic Agent.

Other characteristics of the 1,2,4-Triazine,3-(methylthio)-5-phenyl- can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.21; (6)ACD/BCF (pH 7.4): 12.21; (7)ACD/KOC (pH 5.5): 208.64; (8)ACD/KOC (pH 7.4): 208.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.97 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 57.49 cm³; (15)Molar Volume: 159.1 cm³; (16)Polarizability: 22.79×10^-24cm³; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 201.3 °C; (20)Enthalpy of Vaporization: 63.57 kJ/mol; (21)Boiling Point: 409.3 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c(SC)nncc1c2ccccc2
2.InChI: InChI=1/C10H9N3S/c1-14-10-12-9(7-11-13-10)8-5-3-2-4-6-8/h2-7H,1H3
3.InChIKey: MAPCYWNEYALWSN-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	237mg/kg (237mg/kg)		Journal of Pharmaceutical Sciences. Vol. 69, Pg. 282, 1980.

Product Name

3-methylsulfanyl-5-phenyl-1,2,4-triazine

1,2,4-Triazine,3-(methylthio)-5-phenyl- Specification

Related Products

Hot Products