Chemical Compound
3-Bromo-4-Isothiocyanato-Benzonitrile
CAS Registry Number1000577-91-2
Primary record
3-Bromo-4-Isothiocyanato-Benzonitrile
- CAS
- 1000577-91-2
- PubChem CID
- 26598354
- SMILES
- C1=CC(=C(C=C1C#N)Br)N=C=S
- Molecular Formula
- C8H3BrN2S
- Molecular Weight
- 239.097
- Exact Mass
- 237.92
- InChI
- InChI=1S/C8H3BrN2S/c9-7-3-6(4-10)1-2-8(7)11-5-12/h1-3H
- InChIKey
- TXSYSARBLBVCHQ-UHFFFAOYSA-N
- LogP
- 3.0551
- TPSA
- 36.15
Names and synonyms
- 3-Bromo-4-Isothiocyanato-Benzonitrile
- 2-Bromo-4-cyanophenylisothiocyanate
- 3-bromo-4-isothiocyanatobenzonitrile
- 1000577-91-2
- C8H3BrN2S
- KSC005Q2T
- Benzonitrile, 3-bromo-4-isothiocyanato-
- CTK9A5829
- KS-00000YNE
- 2-bromo-4-cyanophenyl isothiocyanate
- DTXSID40650225
- MFCD09800816
- ZINC15443843
- AKOS024438207
- CS-W000349
- FS-6426
- DB-251371
- D95620
- A902304
- F035153