Cas no 213012-86-3 (Benzoic acid, 2-[([1,1'-biphenyl]-4-ylmethyl)thio]-)
![Benzoic acid, 2-[([1,1'-biphenyl]-4-ylmethyl)thio]- structure](https://ossimg.kuujia.com/scimg/213500/213012-86-3x500.png)
213012-86-3 structure
Product Name:Benzoic acid, 2-[([1,1'-biphenyl]-4-ylmethyl)thio]-
CAS No:213012-86-3
MF:C20H16O2S
MW:320.404844284058
CID:1400294
Update Time:2024-08-15
Benzoic acid, 2-[([1,1'-biphenyl]-4-ylmethyl)thio]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-[([1,1'-biphenyl]-4-ylmethyl)thio]-
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- Inchi： 1S/C20H16O2S/c21-20(22)18-8-4-5-9-19(18)23-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)
- InChI Key： AFXXJQVSVFIIJF-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=CC=C1SCC1=CC=C(C2=CC=CC=C2)C=C1
Computed Properties
- Exact Mass: 320.08718
Experimental Properties
- Density: 1.27±0.1 g/cm3(Predicted)
- Boiling Point: 510.8±50.0 °C(Predicted)
- PSA: 37.3
- pka: 3.49±0.36(Predicted)
Benzoic acid, 2-[([1,1'-biphenyl]-4-ylmethyl)thio]- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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