Cas no 16854-72-1 (Propanebis(thioic)acid, S1,S3-diphenyl ester)
16854-72-1 structure
Product Name:Propanebis(thioic)acid, S1,S3-diphenyl ester
CAS No:16854-72-1
MF:C15H12O2S2
MW:288.384581565857
CID:830671
PubChem ID:10989848
Update Time:2024-11-05
Propanebis(thioic)acid, S1,S3-diphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanebis(thioic)acid, S1,S3-diphenyl ester
- Propanebis(thioic) acid, S1,S3-diphenyl ester
- DTXSID901297495
- S1,S3-Diphenyl propanebis(thioate)
- SCHEMBL24523122
- S,S'-diphenyl dithiomalonate
- 16854-72-1
-
- Inchi： 1S/C15H12O2S2/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h1-10H,11H2
- InChI Key： ZBRJOIXOZZBJLT-UHFFFAOYSA-N
- SMILES： S(C(CC(=O)SC1C=CC=CC=1)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 288.02787197g/mol
- Monoisotopic Mass: 288.02787197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 275
- 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: 4.3
- Topological Polar Surface Area: 84.7?2
Propanebis(thioic)acid, S1,S3-diphenyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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