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27622-90-8

Basic Information
CAS No.: 27622-90-8
Name: 4-METHYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE
Article Data: 5
Molecular Structure:
Molecular Structure of 27622-90-8 (4-METHYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE)
Formula: C5H8N4S
Molecular Weight: 156.2088
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;
Density: 1.31 g/cm3
Melting Point: 153 -155oC
Boiling Point: 405.3 °C at 760 mmHg
Flash Point: 198.9 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 89.99000
LogP: 1.06530
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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.