Cas no 159552-23-5 (Hexanoic acid, 6-(benzoylthio)-)
159552-23-5 structure
Product Name:Hexanoic acid, 6-(benzoylthio)-
CAS No:159552-23-5
MF:C13H16O3S
MW:252.329342842102
CID:1338595
Update Time:2024-08-17
Hexanoic acid, 6-(benzoylthio)- Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid, 6-(benzoylthio)-
-
- Inchi： 1S/C13H16O3S/c14-12(15)9-5-2-6-10-17-13(16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
- InChI Key： MIDGMJLCXGTRGQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)CCCCCSC(=O)C1=CC=CC=C1
Computed Properties
- Exact Mass: 252.08208
Experimental Properties
- Density: 1.189±0.06 g/cm3(Predicted)
- Boiling Point: 404.2±37.0 °C(Predicted)
- PSA: 54.37
- pka: 4.73±0.10(Predicted)
Hexanoic acid, 6-(benzoylthio)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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