Cas no 165456-16-6 (Benzeneacetic acid, 4-(acetylthio)-)
165456-16-6 structure
Product Name:Benzeneacetic acid, 4-(acetylthio)-
CAS No:165456-16-6
MF:C10H10O3S
MW:210.249601840973
CID:1349395
Update Time:2024-08-17
Benzeneacetic acid, 4-(acetylthio)- Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, 4-(acetylthio)-
-
- Inchi： 1S/C10H10O3S/c1-7(11)14-9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
- InChI Key： HTVBDXZFFHRMTN-UHFFFAOYSA-N
- SMILES： C1(CC(O)=O)=CC=C(SC(C)=O)C=C1
Computed Properties
- Exact Mass: 210.0351
Experimental Properties
- Density: 1.30±0.1 g/cm3(Predicted)
- Boiling Point: 379.6±25.0 °C(Predicted)
- PSA: 54.37
- pka: 4.09±0.10(Predicted)
Benzeneacetic acid, 4-(acetylthio)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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