Visit our website to find more information like suppliers, MSDS, infra-red (IR), nuclear magnetic resonance spectra (NMR), bp, mp, nd20, molecular formula (MF), molfile, sdf file, structure, 3d model. You will also find information like safety, risk, hazard and MSDS. This database is a catalog of over 1500000 chemicals and over 1000 chemical suppliers. If you are a supplier you may also add your own catalog of chemicals for free.

Enter a name, molecular formula, cas number or SMILES more info Find chemicals.  Search by structure  Advanced Search

Allyl isothiocyanate	Predict NMR spectrum	RN:  57-06-7 MF:  C4H5NS MW:  99.1504 bp (°C):  151  - 153 mp (°C):  -80 density:  1.0175 nd:  1.529  - 1.531
InChI:  1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 InChIKey:  ZOJBYZNEUISWFT-UHFFFAOYSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  2 Stereocenter:  0	cLogP:  2.696 cLogS:  -1.632 Polar surface:  44.45 NEW: 3D model:  Show
Permanent link: http://www.chemexper.com/search/cas/57067.html		Report error(s)

ChemExper Chemical Directory : catalog of chemicals and suppliers