Cas no 7070-92-0 (Phenol, 2-(1,3-dithiolan-2-yl)-)
7070-92-0 structure
Product Name:Phenol, 2-(1,3-dithiolan-2-yl)-
CAS No:7070-92-0
MF:C9H10OS2
MW:198.305099964142
CID:546804
PubChem ID:11217851
Update Time:2025-04-19
Phenol, 2-(1,3-dithiolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1,3-dithiolan-2-yl)-
- 2-(1,3-dithiolan-2-yl)phenol
- SCHEMBL10495546
- DTXSID40459053
- 7070-92-0
-
- Inchi： 1S/C9H10OS2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9-10H,5-6H2
- InChI Key： BDTJZIUGKIQWPI-UHFFFAOYSA-N
- SMILES： S1CCSC1C1C=CC=CC=1O
Computed Properties
- Exact Mass: 198.0174
- Monoisotopic Mass: 198.01730729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 146
- 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: 2.6
- Topological Polar Surface Area: 70.8?2
Experimental Properties
- PSA: 20.23
Phenol, 2-(1,3-dithiolan-2-yl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
7070-92-0 (Phenol, 2-(1,3-dithiolan-2-yl)-) Related Products
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