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3-Phenyl-5-piperazino-1,2,4-thiadiazole

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Name

3-Phenyl-5-piperazino-1,2,4-thiadiazole

EINECS N/A
CAS No. 306935-14-8 Density 1.238 g/cm3
PSA 69.29000 LogP 2.00850
Solubility N/A Melting Point 91-93°C
Formula C12H14N4S Boiling Point 415.9°C at 760 mmHg
Molecular Weight 246.336 Flash Point 205.3°C
Transport Information N/A Appearance N/A
Safety
Hazard Codes C
Risk Statements 36/37/38
Safety Statements 26-36/37/39
Hazard Note Corrosive
Risk Codes 36/37/38
Molecular Structure Molecular Structure of 306935-14-8 (3-PHENYL-5-PIPERAZINO-1,2,4-THIADIAZOLE) Hazard Symbols CorrosiveC
Synonyms

1-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine;3-Phenyl-5-piperazino-1,2,4-thiadiazole;

Article Data 4

3-Phenyl-5-piperazino-1,2,4-thiadiazole Specification

The 3-Phenyl-5-piperazino-1,2,4-thiadiazole, with the cas registry number 306935-14-8, has the systematic name of 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine. The molecular formula of the chemical is C12H14N4S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.48; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 100.47; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.5 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 68.96 cm3; (15)Molar Volume: 198.9 cm3; (16)Polarizability: 27.33×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 205.3 °C; (20)Enthalpy of Vaporization: 66.9 kJ/mol; (21)Boiling Point: 415.9 °C at 760 mmHg; (22)Vapour Pressure: 3.99E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to the skin, eyes and respiratory system. 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: n1c(snc1c2ccccc2)N3CCNCC3
(2)InChI: InChI=1/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2
(3)InChIKey: UMFMHSLRNJBGKO-UHFFFAOYAW

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