Cas no 62554-43-2 (Benzenethiol, 4-(heptyloxy)-)
Benzenethiol, 4-(heptyloxy)- structure
Product Name:Benzenethiol, 4-(heptyloxy)-
CAS No:62554-43-2
MF:C13H20OS
MW:224.362302780151
CID:440431
PubChem ID:50998029
Update Time:2025-04-19
Benzenethiol, 4-(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 4-(heptyloxy)-
- 4-heptoxybenzenethiol
- 62554-43-2
- 4-(Heptyloxy)benzene-1-thiol
- 4-Heptyloxybenzenethiol
- DTXSID80679238
-
- MDL： MFCD12026167
- Inchi： 1S/C13H20OS/c1-2-3-4-5-6-11-14-12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3
- InChI Key： SLRSRTGJXVJZJY-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)OCCCCCCC
Computed Properties
- Exact Mass: 224.1236
- Monoisotopic Mass: 224.123
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 142
- 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: 5.1
- Topological Polar Surface Area: 10.2A^2
Experimental Properties
- PSA: 9.23
Benzenethiol, 4-(heptyloxy)- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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