White Powder Pharmaceutical Intermediates 257 889 5 EINECS Number

N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea

1. Density: 1.3±0.1 g/cm3
2. Boiling Point: 375.8±25.0 °C at 760 mmHg
3. Vapour Pressure: 0.0±0.9 mmHg at 25°C
4. Enthalpy of Vaporization: 62.3±3.0 kJ/mol
5. Flash Point: 181.1±23.2 °C
6. Index of Refraction: 1.700
7. Molar Refractivity: 78.7±0.3 cm3
8. H bond acceptors: 5
9. H bond donors: 5
10. Freely Rotating Bonds: 8
11. Rule of 5 Violations: 1
12. ACD/LogP: 1.66
13. ACD/LogD (pH 5.5): 1.28
14. ACD/BCF (pH 5.5): 5.53
15. ACD/KOC (pH 5.5): 117.52
16. ACD/LogD (pH 7.4): 0.85
17. ACD/BCF (pH 7.4): 2.06
18. ACD/KOC (pH 7.4): 43.84
19. Polar Surface Area: 124 Å2
20. Polarizability: 31.2±0.5 10-24cm3
21. Surface Tension: 70.7±3.0 dyne/cm
22. Molar Volume: 203.6±3.0 cm3

Synonyms:
N1-[2-[(5-Methyl-1H-imidazole-4-yl)methylthio]ethyl]-N2-cyano(methylthio)methanamidine;Einecs 257-889-5;N-Cyano-N-[2-(5-MethyliMidazole-4-Methylthio)ethyl]-S-Methyl isothiourea Monohydrate;N-Cyano-N'-[2-[(4-methyl-5-imidazolyl)methylthio]ethyl]-S-methylisothiourea;N-Cyano-N'-[2-[[(5-methyl-4-imidazolyl)methyl]thio]ethyl]-S-methylisothiourea;S-Methyl-N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isothiourea;N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea;1-cyano-2-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]isothiourea

CAS:

52378-40-2

MF:

C10H15N5S2

MW:
269.3896

EINECS:
257-889-5

Density