Cas no 54997-35-2 (Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]-)
![Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/55000/54997-35-2x500.png)
54997-35-2 structure
Product Name:Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]-
CAS No:54997-35-2
MF:C17H16O2S
MW:284.372743606567
CID:353125
PubChem ID:71364364
Update Time:2025-04-19
Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]-
- 2-[2-(4-cyclopropylphenyl)sulfanylphenyl]acetic acid
- DTXSID50787839
- {2-[(4-Cyclopropylphenyl)sulfanyl]phenyl}acetic acid
- 54997-35-2
-
- Inchi： 1S/C17H16O2S/c18-17(19)11-14-3-1-2-4-16(14)20-15-9-7-13(8-10-15)12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,18,19)
- InChI Key： BVZBAKGLAMGZTM-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CC(=O)O)C1C=CC(=CC=1)C1CC1
Computed Properties
- Exact Mass: 284.08718
- Monoisotopic Mass: 284.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 332
- 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: 4.4
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
54997-35-2 (Benzeneacetic acid, 2-[(4-cyclopropylphenyl)thio]-) Related Products
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