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13705-05-0

Basic Information
CAS No.: 13705-05-0
Name: 2,4-dichloro-6-(methylthio)-1,3,5-triazine
Article Data: 6
Molecular Structure:
Molecular Structure of 13705-05-0 (2,4-dichloro-6-(methylthio)-1,3,5-triazine)
Formula: C4H3Cl2N3S
Molecular Weight: 196.06
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;
EINECS: 237-239-7
Density: 1.61 g/cm3
Boiling Point: 395 °C at 760 mmHg
Flash Point: 192.7 °C
PSA: 63.97000
LogP: 1.90030
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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,