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175204-46-3

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Basic Information
CAS No.: 175204-46-3
Name: 2,6-DICHLOROPYRIDINE-4-CARBOTHIOAMIDE
Molecular Structure:
Molecular Structure of 175204-46-3 (2,6-DICHLOROPYRIDINE-4-CARBOTHIOAMIDE)
Formula: C6H4Cl2N2S
Molecular Weight: 207.083
Synonyms: 2, 6-Dichloroisothionicontinamide;
Density: 1.555 g/cm3
Melting Point: 145ºC
Boiling Point: 366.5 °C at 760 mmHg
Flash Point: 175.5 °C
Hazard Symbols: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 71.00000
LogP: 2.72290
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Specification

The 4-Pyridinecarbothioamide, 2, 6-dichloro-, with the CAS registry number 175204-46-3, is also known as 2, 6-Dichloroisothionicontinamide. This chemical's molecular formula is C6H4Cl2N2S and molecular weight is 207.08. What's more, its systematic name is 2, 6-Dichloropyridine-4-carbothioamide 

Physical properties about 4-Pyridinecarbothioamide, 2, 6-dichloro- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.69; (6)ACD/BCF (pH 7.4): 12.69; (7)ACD/KOC (pH 5.5): 214.53; (8)ACD/KOC (pH 7.4): 214.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.22 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 50.32 cm3; (15)Molar Volume: 133.1 cm3; (16)Polarizability: 19.95×10-24 cm3; (17)Surface Tension: 72.9 dyne/cm; (18)Density: 1.555 g/cm3; (19)Flash Point: 175.5 °C; (20)Enthalpy of Vaporization: 61.29 kJ/mol; (21)Boiling Point: 366.5 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(c1cc(Cl)nc(Cl)c1)N
(2) InChI: InChI=1/C6H4Cl2N2S/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)
(3) InChIKey: QZDZCVBAYMPTBM-UHFFFAOYAT