Cas no 86695-08-1 (Phenol, 2-isothiocyanato-)
Phenol, 2-isothiocyanato- structure
Product Name:Phenol, 2-isothiocyanato-
CAS No:86695-08-1
MF:C7H5NOS
MW:151.185700178146
CID:1855267
PubChem ID:15517298
Update Time:2025-04-21
Phenol, 2-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-isothiocyanato-
- 2-isothiocyanatophenol
- 86695-08-1
- SCHEMBL4320644
- DTXCID10524328
- DTXSID90573556
- phenol isothiocyanate
-
- Inchi： 1S/C7H5NOS/c9-7-4-2-1-3-6(7)8-5-10/h1-4,9H
- InChI Key： BUFAYFTZUOIEBA-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC=CC=1O
Computed Properties
- Exact Mass: 151.00918496Da
- Monoisotopic Mass: 151.00918496Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 154
- 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
- Topological Polar Surface Area: 64.7?2
Phenol, 2-isothiocyanato- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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