Cas no 54997-33-0 (Benzeneacetic acid, 2-[[4-(1-methylethyl)phenyl]thio]-)
![Benzeneacetic acid, 2-[[4-(1-methylethyl)phenyl]thio]- structure](https://ossimg.kuujia.com/scimg/55000/54997-33-0x500.png)
54997-33-0 structure
Product Name:Benzeneacetic acid, 2-[[4-(1-methylethyl)phenyl]thio]-
CAS No:54997-33-0
MF:C17H18O2S
MW:286.388623714447
CID:353127
PubChem ID:71364366
Update Time:2025-04-19
Benzeneacetic acid, 2-[[4-(1-methylethyl)phenyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-[[4-(1-methylethyl)phenyl]thio]-
- 2-[2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid
- 54997-33-0
- DTXSID20787841
- (2-{[4-(Propan-2-yl)phenyl]sulfanyl}phenyl)acetic acid
-
- Inchi： 1S/C17H18O2S/c1-12(2)13-7-9-15(10-8-13)20-16-6-4-3-5-14(16)11-17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)
- InChI Key： AOOJDOLHBGLUJB-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CC(=O)O)C1C=CC(=CC=1)C(C)C
Computed Properties
- Exact Mass: 286.10284
- Monoisotopic Mass: 286.10275099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 308
- 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: 4.6
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid, 2-[[4-(1-methylethyl)phenyl]thio]- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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