Cas no 88357-17-9 (Benzaldehyde, 4-(heptylthio)-)
Benzaldehyde, 4-(heptylthio)- structure
Product Name:Benzaldehyde, 4-(heptylthio)-
CAS No:88357-17-9
MF:C14H20OS
MW:236.373003005981
CID:635556
PubChem ID:71408773
Update Time:2025-04-19
Benzaldehyde, 4-(heptylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-(heptylthio)-
- 4-heptylsulfanylbenzaldehyde
- SCHEMBL11166359
- DTXSID70828556
- 88357-17-9
- 4-(HEPTYLSULFANYL)BENZALDEHYDE
-
- Inchi： 1S/C14H20OS/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3
- InChI Key： ORGFCUHAVYPHTJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C=O)=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 236.12348643g/mol
- Monoisotopic Mass: 236.12348643g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 174
- 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: 4.8
- Topological Polar Surface Area: 42.4?2
Benzaldehyde, 4-(heptylthio)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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