Cas no 150372-43-3 (Phenol, 4-(1,3-dithiolan-2-yl)-, acetate)
150372-43-3 structure
Product Name:Phenol, 4-(1,3-dithiolan-2-yl)-, acetate
CAS No:150372-43-3
MF:C11H14O3S2
MW:258.357060909271
CID:1321805
PubChem ID:71346321
Update Time:2025-04-20
Phenol, 4-(1,3-dithiolan-2-yl)-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(1,3-dithiolan-2-yl)-, acetate
- acetic acid,4-(1,3-dithiolan-2-yl)phenol
- DTXSID00772437
- 150372-43-3
- Acetic acid--4-(1,3-dithiolan-2-yl)phenol (1/1)
- Acetic acid;4-(1,3-dithiolan-2-yl)phenol
-
- Inchi： 1S/C9H10OS2.C2H4O2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;1-2(3)4/h1-4,9-10H,5-6H2;1H3,(H,3,4)
- InChI Key： QTSDPSBFXMMHIA-UHFFFAOYSA-N
- SMILES： S1CCSC1C1C=CC(=CC=1)O.OC(C)=O
Computed Properties
- Exact Mass: 258.03852
- Monoisotopic Mass: 258.03843665g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 169
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 57.53
Phenol, 4-(1,3-dithiolan-2-yl)-, acetate Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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