Product Name

  • Name

    CYANOMETHYL ETHANETHIOATE

  • EINECS
  • CAS No. 59463-56-8
  • Article Data6
  • CAS DataBase
  • Density 1.162 g/cm3
  • Solubility
  • Melting Point 226-227 °C
  • Formula C4H5NOS
  • Boiling Point 198.1 °C at 760 mmHg
  • Molecular Weight 115.156
  • Flash Point 73.6 °C
  • Transport Information
  • Appearance
  • Safety 36/37
  • Risk Codes 20/21/22
  • Molecular Structure Molecular Structure of 59463-56-8 (CYANOMETHYL ETHANETHIOATE)
  • Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
  • Synonyms Acetonitrile,mercapto-, acetate;(Acetylsulfanyl)acetonitrile;S-Cyanomethylthioacetate;
  • PSA 66.16000
  • LogP 0.78968

Ethanethioic acid,S-(cyanomethyl) ester Specification

The Ethanethioic acid,S-(cyanomethyl) ester, with the CAS registry number 59463-56-8, is also known as (Acetylsulfanyl)acetonitrile. This chemical's molecular formula is C4H5NOS and molecular weight is 115.15. What's more, its systematic name is S-(cyanomethyl) ethanethioate. This chemical is harmful by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing and glove.

Physical properties of Ethanethioic acid,S-(cyanomethyl) ester are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.66; (8)ACD/KOC (pH 7.4): 30.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.16 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 28.52 cm3; (15)Molar Volume: 99 cm3; (16)Polarizability: 11.3×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 73.6 °C; (20)Enthalpy of Vaporization: 43.43 kJ/mol; (21)Boiling Point: 198.1 °C at 760 mmHg; (22)Vapour Pressure: 0.367 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCC#N)C
(2)Std. InChI: InChI=1S/C4H5NOS/c1-4(6)7-3-2-5/h3H2,1H3
(3)Std. InChIKey: XMDLKUYYOPPWRL-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View