| SpectraBase Spectrum ID |
6NH2AEgdbdv |
| Name |
2-Isothiocyanatobenzonitrile |
| Alternate Name(s) |
2-Cyanophenyl isothiocyanate
2-Isothiocyanatobenzenecarbonitrile |
| CAS Registry Number |
81431-98-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H4N2S |
| InChI |
InChI=1S/C8H4N2S/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H |
| InChIKey |
GDHYPPBFBJXNRE-UHFFFAOYSA-N |
| Molecular Weight |
160.194 g/mol |
| SMILES |
c1(c(cccc1)C#N)N=C=S |
| SPLASH |
splash10-03di-0900000000-7dd8c88592aa8b6742df |
| Source of Spectrum |
KC-0-891-0 |
| Wiley ID |
824394 |
