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

Name
3-PHENYL-5-PIPERAZINO-1,2,4-THIADIAZOLE
EINECS
CAS No. 306935-14-8
Article Data4
CAS DataBase
Density 1.238 g/cm³
Solubility
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
Appearance
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
Hazard Symbols C
Synonyms 1-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine;3-Phenyl-5-piperazino-1,2,4-thiadiazole;
PSA 69.29000
LogP 2.00850

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

Product Name

3-PHENYL-5-PIPERAZINO-1,2,4-THIADIAZOLE

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

Related Products

Hot Products

Hazard Codes	C
Risk Statements	36/37/38
Safety Statements	26-36/37/39
Hazard Note	Corrosive