Cas no 503065-08-5 (Benzaldehyde, 2-(cyclohexylthio)-)
503065-08-5 structure
Product Name:Benzaldehyde, 2-(cyclohexylthio)-
CAS No:503065-08-5
MF:C13H16OS
MW:220.330542564392
CID:1564548
PubChem ID:63801869
Update Time:2025-04-21
Benzaldehyde, 2-(cyclohexylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-(cyclohexylthio)-
- AKOS013113826
- 2-(cyclohexylthio)benzaldehyde
- SCHEMBL2670032
- 503065-08-5
- DB-121778
- ZCQFZJLUZCLFQW-UHFFFAOYSA-N
-
- Inchi： 1S/C13H16OS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2
- InChI Key： ZCQFZJLUZCLFQW-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C=O)C1CCCCC1
Computed Properties
- Exact Mass: 220.09228
- Monoisotopic Mass: 220.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 199
- 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: 3.7
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, 2-(cyclohexylthio)- Related Literature
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1. 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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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