Cas no 89050-48-6 (Benzoic acid, 3-[[4-(methoxycarbonyl)phenyl]dithio]-, methyl ester)
![Benzoic acid, 3-[[4-(methoxycarbonyl)phenyl]dithio]-, methyl ester structure](https://ossimg.kuujia.com/scimg/89500/89050-48-6x500.png)
89050-48-6 structure
Product Name:Benzoic acid, 3-[[4-(methoxycarbonyl)phenyl]dithio]-, methyl ester
CAS No:89050-48-6
MF:C16H14O4S2
MW:334.409962177277
CID:614354
PubChem ID:13213111
Update Time:2025-04-19
Benzoic acid, 3-[[4-(methoxycarbonyl)phenyl]dithio]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[[4-(methoxycarbonyl)phenyl]dithio]-, methyl ester
- methyl 3-[(4-methoxycarbonylphenyl)disulfanyl]benzoate
- 89050-48-6
- DTXSID20528418
- Methyl 3-{[4-(methoxycarbonyl)phenyl]disulfanyl}benzoate
-
- Inchi： 1S/C16H14O4S2/c1-19-15(17)11-6-8-13(9-7-11)21-22-14-5-3-4-12(10-14)16(18)20-2/h3-10H,1-2H3
- InChI Key： LWOCKNYBOHIFFK-UHFFFAOYSA-N
- SMILES： S(C1=CC=CC(C(=O)OC)=C1)SC1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 334.03335127g/mol
- Monoisotopic Mass: 334.03335127g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 380
- 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: 3.7
- Topological Polar Surface Area: 103?2
Benzoic acid, 3-[[4-(methoxycarbonyl)phenyl]dithio]-, methyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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