1,3,5-Triazine,2,4-dichloro-6-(methylthio)- supplier

Name
2,4-dichloro-6-(methylthio)-1,3,5-triazine
EINECS 237-239-7
CAS No. 13705-05-0
Article Data6
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point
Formula C₄H₃Cl₂N₃S
Boiling Point 395 °C at 760 mmHg
Molecular Weight 196.06
Flash Point 192.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazine,2,4-dichloro-6-(methylthio)- (6CI,8CI);2,4-Dichloro-6-(methylthio)-1,3,5-triazine;2,4-Dichloro-6-(methylthio)-s-triazine;2-Methylmercapto-4,6-dichloro-s-triazine;2-Methylthio-4,6-dichloro-s-triazine;4,6-Dichloro-2-(methylthio)-s-triazine;2,4-Dichloro-6-(methylsulfanyl)-1,3,5-triazine;5-Triazine, 2,4-dichloro-6-(methylthio)-3;
PSA 63.97000
LogP 1.90030

1,3,5-Triazine,2,4-dichloro-6-(methylthio)- Specification

The 1,3,5-Triazine,2,4-dichloro-6-(methylthio)-, with the CAS registry number 13705-05-0, is also known as 2,4-Dichloro-6-(methylthio)-1,3,5-triazine. Its EINECS number is 237-239-7. This chemical's molecular formula is C₄H₃Cl₂N₃S and molecular weight is 196.06. What's more, its systematic name is 2,4-Dichloro-6-(methylsulfanyl)-1,3,5-triazine.

Physical properties of 1,3,5-Triazine,2,4-dichloro-6-(methylthio)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.24; (6)ACD/BCF (pH 7.4): 20.24; (7)ACD/KOC (pH 5.5): 299.69; (8)ACD/KOC (pH 7.4): 299.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.97 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 42.44 cm³; (15)Molar Volume: 121.3 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 74.8 dyne/cm; (18)Density: 1.61 g/cm³; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 61.99 kJ/mol; (21)Boiling Point: 395 °C at 760 mmHg; (22)Vapour Pressure: 4.32E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSC1=NC(=NC(=N1)Cl)Cl
(2)InChI: InChI=1S/C4H3Cl2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3
(3)InChIKey: MWPZLWRHHPWTFS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02199,

Product Name

2,4-dichloro-6-(methylthio)-1,3,5-triazine

1,3,5-Triazine,2,4-dichloro-6-(methylthio)- Specification

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