Cas no 89447-57-4 (Benzenethiol, 4-(tetradecyloxy)-)
89447-57-4 structure
Product Name:Benzenethiol, 4-(tetradecyloxy)-
CAS No:89447-57-4
MF:C20H34OS
MW:322.548365116119
CID:600183
PubChem ID:20278668
Update Time:2025-04-19
Benzenethiol, 4-(tetradecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 4-(tetradecyloxy)-
- 4-tetradecoxybenzenethiol
- DTXSID00604582
- SCHEMBL10989617
- 89447-57-4
- 4-(Tetradecyloxy)benzene-1-thiol
-
- Inchi： 1S/C20H34OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-21-19-14-16-20(22)17-15-19/h14-17,22H,2-13,18H2,1H3
- InChI Key： WJOZUIDNPAEBFI-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)OCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 322.23303688g/mol
- Monoisotopic Mass: 322.23303688g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 14
- Complexity: 224
- 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: 8.9
- Topological Polar Surface Area: 10.2?2
Benzenethiol, 4-(tetradecyloxy)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. 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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