Cas no 62283-32-3 (Azulene, 4,6,8-trimethyl-2-(phenylsulfonyl)-)
62283-32-3 structure
Product Name:Azulene, 4,6,8-trimethyl-2-(phenylsulfonyl)-
CAS No:62283-32-3
MF:C19H18O2S
MW:310.410024166107
CID:450983
PubChem ID:12308396
Update Time:2025-04-19
Azulene, 4,6,8-trimethyl-2-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Azulene, 4,6,8-trimethyl-2-(phenylsulfonyl)-
- 2-(benzenesulfonyl)-4,6,8-trimethylazulene
- 62283-32-3
- DTXSID90487149
-
- Inchi： 1S/C19H18O2S/c1-13-9-14(2)18-11-17(12-19(18)15(3)10-13)22(20,21)16-7-5-4-6-8-16/h4-12H,1-3H3
- InChI Key： YXIUEHHEPDGLNV-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1=CC2=C(C)C=C(C)C=C(C)C2=C1)(=O)=O
Computed Properties
- Exact Mass: 310.10284
- Monoisotopic Mass: 310.10275099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 452
- 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: 4.8
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Azulene, 4,6,8-trimethyl-2-(phenylsulfonyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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