Cas no 4527-46-2 (Benzenethiol, 4-pentyl-)
Benzenethiol, 4-pentyl- structure
Product Name:Benzenethiol, 4-pentyl-
CAS No:4527-46-2
MF:C11H16S
MW:180.309741973877
CID:1516795
PubChem ID:12484177
Update Time:2025-04-21
Benzenethiol, 4-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 4-pentyl-
- 4-pentylbenzenethiol
- RMHIJJXBYFMPQP-UHFFFAOYSA-N
- 4-Pentylbenzene-1-thiol
- 4-n-pentylbenzenethiol
- 4527-46-2
- AKOS005216200
- DTXSID50499965
- pentylphenylthiol
- SCHEMBL1533007
-
- Inchi： 1S/C11H16S/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
- InChI Key： RMHIJJXBYFMPQP-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)CCCCC
Computed Properties
- Exact Mass: 180.09738
- Monoisotopic Mass: 180.09727168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 104
- 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: 4.2
- Topological Polar Surface Area: 1?2
Experimental Properties
- PSA: 0
Benzenethiol, 4-pentyl- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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