Cas no 87656-39-1 (Anthracene, 9-[(1,1-dimethylethyl)thio]-)
![Anthracene, 9-[(1,1-dimethylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/88000/87656-39-1x500.png)
87656-39-1 structure
Product Name:Anthracene, 9-[(1,1-dimethylethyl)thio]-
CAS No:87656-39-1
MF:C18H18S
MW:266.400523662567
CID:653921
PubChem ID:10635494
Update Time:2025-04-19
Anthracene, 9-[(1,1-dimethylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Anthracene, 9-[(1,1-dimethylethyl)thio]-
- 9-tert-butylsulfanylanthracene
- 87656-39-1
- 9-(tert-butylthio)anthracene
- DTXSID40442849
-
- Inchi： 1S/C18H18S/c1-18(2,3)19-17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12H,1-3H3
- InChI Key： VQWZAPWFBOADTB-UHFFFAOYSA-N
- SMILES： S(C1C2C=CC=CC=2C=C2C=CC=CC=12)C(C)(C)C
Computed Properties
- Exact Mass: 266.11292175g/mol
- Monoisotopic Mass: 266.11292175g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 281
- 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: 6
- Topological Polar Surface Area: 25.3?2
Anthracene, 9-[(1,1-dimethylethyl)thio]- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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