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

Name
4-METHYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE
EINECS
CAS No. 27622-90-8
Article Data5
CAS DataBase
Density 1.31 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA 89.99000
LogP 1.06530

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.

Product Name

4-METHYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE

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

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