Cas no 52872-99-8 (Benzenethiol, 4-(phenylthio)-)
Benzenethiol, 4-(phenylthio)- structure
Product Name:Benzenethiol, 4-(phenylthio)-
CAS No:52872-99-8
MF:C12H10S2
MW:218.337800502777
CID:1579472
PubChem ID:12094372
Update Time:2025-04-21
Benzenethiol, 4-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 4-(phenylthio)-
- 4-phenylsulfanylbenzenethiol
- SCHEMBL544383
- DTXSID80477438
- 52872-99-8
-
- Inchi： 1S/C12H10S2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
- InChI Key： FXUDFWSZQAEDCP-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC(=CC=1)S
Computed Properties
- Exact Mass: 218.0225
- Monoisotopic Mass: 218.02239267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 156
- 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: 26.3?2
Experimental Properties
- PSA: 0
Benzenethiol, 4-(phenylthio)- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
52872-99-8 (Benzenethiol, 4-(phenylthio)-) Related Products
- 139-66-2(Diphenyl Sulfide)
- 19362-77-7(4,4'-Thiobisbenzenethiol)
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- 1122-97-0(4-(Methylthio)thiophenol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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