Cas no 39264-02-3 (dibutyl 2,2'-dithiobisbenzoate)
39264-02-3 structure
Product Name:dibutyl 2,2'-dithiobisbenzoate
CAS No:39264-02-3
MF:C22H26O4S2
MW:418.569444179535
CID:924395
PubChem ID:56842806
Update Time:2025-04-19
dibutyl 2,2'-dithiobisbenzoate Chemical and Physical Properties
Names and Identifiers
-
- dibutyl 2,2'-dithiobisbenzoate
- butyl 2-[(2-butoxycarbonylphenyl)disulfanyl]benzoate
- butyl 2-(2-butoxycarbonylphenyl)disulfanylbenzoate
- DYLHXXARSCWPOJ-UHFFFAOYSA-N
- NS00030556
- 39264-02-3
- DB-264758
- EINECS 254-389-9
- DTXSID00192515
-
- Inchi： 1S/C22H26O4S2/c1-3-5-15-25-21(23)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
- InChI Key： DYLHXXARSCWPOJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)OCCCC)SC1C=CC=CC=1C(=O)OCCCC
Computed Properties
- Exact Mass: 418.12738
- Monoisotopic Mass: 207.056325
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 39.4
- XLogP3: 6.8
Experimental Properties
- Density: 1.2
- Boiling Point: 513.7°Cat760mmHg
- Flash Point: 513.7°Cat760mmHg
- Refractive Index: 1.593
- PSA: 52.6
dibutyl 2,2'-dithiobisbenzoate Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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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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