Cas no 1135-13-3 (4-benzylbenzenethiol)
4-benzylbenzenethiol structure
Product Name:4-benzylbenzenethiol
CAS No:1135-13-3
MF:C13H12S
MW:200.299382209778
CID:1204226
PubChem ID:18678326
Update Time:2025-04-20
4-benzylbenzenethiol Chemical and Physical Properties
Names and Identifiers
-
- 4-benzylbenzenethiol
- LogP
- 4-benzyl-benzenethiol
- SCHEMBL338117
- 4-benzylthiophenol
- AKOS013802000
- 1135-13-3
- DB-340058
- GNSRAOSNGLCJJN-UHFFFAOYSA-N
-
- Inchi： 1S/C13H12S/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
- InChI Key： GNSRAOSNGLCJJN-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 200.06606
- Monoisotopic Mass: 200.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 153
- 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: 4.3
- Topological Polar Surface Area: 1?2
Experimental Properties
- PSA: 0
4-benzylbenzenethiol Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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