Cas no 78225-76-0 (Benzoyl isothiocyanate, 4-iodo-)
78225-76-0 structure
Product Name:Benzoyl isothiocyanate, 4-iodo-
CAS No:78225-76-0
MF:C8H4INOS
MW:289.092932701111
CID:530502
PubChem ID:14935090
Update Time:2025-04-19
Benzoyl isothiocyanate, 4-iodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl isothiocyanate, 4-iodo-
- 4-iodobenzoyl isothiocyanate
- AKOS009548321
- SCHEMBL5824636
- DTXSID80565703
- p-iodobenzoylisothiocyanate
- PBHPSDCDASGGGC-UHFFFAOYSA-N
- 78225-76-0
- 4-Iodo-1-benzenecarbonyl isothiocyanate
-
- Inchi： 1S/C8H4INOS/c9-7-3-1-6(2-4-7)8(11)10-5-12/h1-4H
- InChI Key： PBHPSDCDASGGGC-UHFFFAOYSA-N
- SMILES： IC1C=CC(C(N=C=S)=O)=CC=1
Computed Properties
- Exact Mass: 288.90583g/mol
- Monoisotopic Mass: 288.90583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 61.5?2
Benzoyl isothiocyanate, 4-iodo- Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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