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5388-28-3

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Basic Information
CAS No.: 5388-28-3
Name: S-BENZYLISOTHIOUREA HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 5388-28-3 (S-BENZYLISOTHIOUREA HYDROCHLORIDE)
Formula: C6H6N4
Molecular Weight: 134.14
Synonyms: S-BENZYLISOTHIURONIUM CHLORIDE;S-BENZYLISOTHIOURONIUM CHLORIDE;S-BENZYLTHIURONIUM CHLORIDE;S-BENZYLTHIOURONIUM CHLORIDE;S-BENZYLTHIOPSEUDOUREA HYDROCHLORIDE;SBT;U-19451A;2-BENZYL-2-THIOPSEUDOUREA, HCL
EINECS: 208-688-6
Density: 1.22 g/cm3
Melting Point: 172-177 °C
Boiling Point: 316.4 °C at 760 mmHg
Flash Point: 145.1 °C
Hazard Symbols: T
Risk Codes: 25-43
Safety: 36/37/39-45-36/37
PSA: 75.17000
LogP: 3.41530
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Specification

The CAS registry number of 5-Pyrimidinecarbonitrile,2-(methylamino)- is5388-28-3. The molecular formula of it is C6H6N4 and molecular weight is 134.1386. Its systematic name is called 2-(methylamino)pyrimidine-5-carbonitrile.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 15.46; (4)ACD/KOC (pH 7.4): 15.46; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.554; (9)Molar Refractivity: 35.19 cm3; (10)Molar Volume: 109.7 cm3; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.22 g/cm3; (13)Flash Point: 145.1 °C; (14)Enthalpy of Vaporization: 55.77 kJ/mol; (15)Boiling Point: 316.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000412 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CNc1ncc(C#N)cn1
(2)InChI: InChI=1/C6H6N4/c1-8-6-9-3-5(2-7)4-10-6/h3-4H,1H3,(H,8,9,10)
(3)InChIKey: MCZXXEZSKWAWME-UHFFFAOYAH