Cas no 73688-90-1 (4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-[4-(methylthio)phenyl]-)
![4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-[4-(methylthio)phenyl]- structure](https://ossimg.kuujia.com/scimg/74000/73688-90-1x500.png)
73688-90-1 structure
Product Name:4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-[4-(methylthio)phenyl]-
CAS No:73688-90-1
MF:C11H16BNO2S
MW:237.12624168396
CID:567147
PubChem ID:3056315
Update Time:2025-04-19
4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-[4-(methylthio)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-[4-(methylthio)phenyl]-
- 2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane
- p-Methylthiobenzeneboronic acid 2,2-iminodiethyl ester
- 73688-90-1
- DTXSID00223974
- 2,2-Iminodiethyl p-methylthiobenzeneboronate
- Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester
-
- Inchi： 1S/C11H16BNO2S/c1-16-11-4-2-10(3-5-11)12-14-8-6-13-7-9-15-12/h2-5,13H,6-9H2,1H3
- InChI Key： NIHZKOVNUAYDRG-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(B2OCCNCCO2)=CC=1
Computed Properties
- Exact Mass: 237.0994801g/mol
- Monoisotopic Mass: 237.0994801g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 192
- 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
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.13
- Boiling Point: 395.3°C at 760 mmHg
- Flash Point: 192.9°C
- Refractive Index: 1.547
- PSA: 55.79000
- LogP: 1.06890
4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-[4-(methylthio)phenyl]- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. 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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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