Cas no 918108-26-6 (3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]-)
![3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/918500/918108-26-6x500.png)
918108-26-6 structure
Product Name:3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]-
CAS No:918108-26-6
MF:C10H8INOS
MW:317.14609336853
CID:779998
PubChem ID:58775894
Update Time:2025-04-19
3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]-
- 2-[(4-iodophenyl)methyl]-1,2-thiazol-3-one
- 2-[(4-Iodophenyl)methyl]-1,2-thiazol-3(2H)-one
- 918108-26-6
- SCHEMBL5593583
- DTXSID50729976
-
- Inchi： 1S/C10H8INOS/c11-9-3-1-8(2-4-9)7-12-10(13)5-6-14-12/h1-6H,7H2
- InChI Key： FRNBEDZGTNFIFE-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)CN1C(C=CS1)=O
Computed Properties
- Exact Mass: 316.93713g/mol
- Monoisotopic Mass: 316.93713g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 249
- 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: 2.2
- Topological Polar Surface Area: 45.6?2
3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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