1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]- supplier

Name
4,5-Dihydro-2-((phenylmethyl)thio)-(1H)imidazole
EINECS
CAS No. 20268-38-6
Density 1.19 g/cm³
Solubility
Melting Point 68-70 °C
Formula C₁₀H₁₂N₂S
Boiling Point 317.7 °C at 760 mmHg
Molecular Weight 192.285
Flash Point 145.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Benzylsulfanyl)-4,5-dihydro-1H-imidazole;4,5-Dihydro-2-((phenylmethyl)thio)-(1H)imidazole;
PSA 49.69000
LogP 1.64340

1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]- Specification

The 1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]-, with the CAS registry number 20268-38-6, is also known as 4,5-Dihydro-2-((phenylmethyl)thio)-(1H)imidazole. This chemical's molecular formula is C₁₀H₁₂N₂S and molecular weight is 192.28. What's more, its systematic name is 2-(benzylsulfanyl)-4,5-dihydro-1H-imidazole.

Physical properties of 1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.89; (7)ACD/KOC (pH 7.4): 8; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.9 Å²; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 57.45 cm³; (14)Molar Volume: 160.4 cm³; (15)Polarizability: 22.77×10^-24cm³; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.19 g/cm³; (18)Flash Point: 145.9 °C; (19)Enthalpy of Vaporization: 55.91 kJ/mol; (20)Boiling Point: 317.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000378 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(/C1=N/CCN1)Cc2ccccc2
(2)InChI: InChI=1S/C10H12N2S/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
(3)InChIKey: UMIMRBZSSFFXQV-UHFFFAOYSA-N

Product Name

4,5-Dihydro-2-((phenylmethyl)thio)-(1H)imidazole

1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]- Specification

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