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CAS No.: | 17427-37-1 |
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Name: | 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H11NOS |
Molecular Weight: | 193.27 |
Synonyms: | Isothiocyanicacid, p-methoxyphenethyl ester (8CI); |
Density: | 1.05 g/cm3 |
Boiling Point: | 323 °C at 760 mmHg |
Flash Point: | 149.2 °C |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 53.68000 |
LogP: | 2.34050 |
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The Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- has CAS registry number 17427-37-1. This chemical's molecular formula is C10H11NOS and molecular weight is 193.27. What's more, its IUPAC name is 1-(2-isothiocyanatoethyl)-4-methoxybenzene.
Physical properties of Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 53.68 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 57.66 cm3; (9)Molar Volume: 184 cm3; (10)Polarizability: 22.86×10-24cm3; (11)Surface Tension: 34.4 dyne/cm; (12)Density: 1.05 g/cm3; (13)Flash Point: 149.2 °C; (14)Enthalpy of Vaporization: 54.25 kJ/mol; (15)Boiling Point: 323 °C at 760 mmHg; (16)Vapour Pressure: 0.000508 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/CCc1ccc(OC)cc1
(2)Std. InChI: InChI=1S/C10H11NOS/c1-12-10-4-2-9(3-5-10)6-7-11-8-13/h2-5H,6-7H2,1H3
(3)Std. InChIKey: JIZVGEJTLPEYLM-UHFFFAOYSA-N