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1,3,5-Triazin-2-amine,4-methyl-6-(methylthio)-

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Name

1,3,5-Triazin-2-amine,4-methyl-6-(methylthio)-

EINECS N/A
CAS No. 27622-90-8 Density 1.31 g/cm3
PSA 89.99000 LogP 1.06530
Solubility N/A Melting Point 153 -155oC
Formula C5H8N4S Boiling Point 405.3 °C at 760 mmHg
Molecular Weight 156.2088 Flash Point 198.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 27622-90-8 (4-METHYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE) Hazard Symbols N/A
Synonyms

4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine;1,3,5-triazin-2-amine, 4-methyl-6-(methylthio)-;4-Methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine;2-Amino-4-methyl-6-(methylthio)-1,3,5-triazine;6-methyl-4-methylthio-1,3,5-triazine-2-ylamine;

Article Data 5

1,3,5-Triazin-2-amine,4-methyl-6-(methylthio)- Specification

The 1,3,5-Triazin-2-amine,4-methyl-6-(methylthio)-, with the CAS registry number 27622-90-8, has the systematic name of 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H8N4S.

The characteristics of 1,3,5-Triazin-2-amine,4-methyl-6-(methylthio)- are as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.89; (6)ACD/BCF (pH 7.4): 5.91; (7)ACD/KOC (pH 5.5): 123.72; (8)ACD/KOC (pH 7.4): 124.18; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.21 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 118.4 cm3; (16)Polarizability: 16.26×10-24cm3; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 198.9 °C; (20)Enthalpy of Vaporization: 65.68 kJ/mol; (21)Boiling Point: 405.3 °C at 760 mmHg; (22)Vapour Pressure: 8.87E-07 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c1nc(nc(n1)N)C)C
(2)InChI: InChI=1/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
(3)InChIKey: CQORBMDQIUWHGC-UHFFFAOYAB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 95, Pg. 512, 1975.
 

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