Cas no 16854-73-2 (Propanebis(thioic)acid, S1,S3-bis(4-methylphenyl) ester)
16854-73-2 structure
Product Name:Propanebis(thioic)acid, S1,S3-bis(4-methylphenyl) ester
CAS No:16854-73-2
MF:C17H16O2S2
MW:316.437742233276
CID:225524
PubChem ID:315485
Update Time:2025-04-19
Propanebis(thioic)acid, S1,S3-bis(4-methylphenyl) ester Chemical and Physical Properties
Names and Identifiers
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- Propanebis(thioic)acid, S1,S3-bis(4-methylphenyl) ester
- 1-S,3-S-bis(4-methylphenyl) propanebis(thioate)
- AC1L7RTI
- Dithiomalonsaeure-S,S-bis-(p-tolyl)-ester
- NSC240732
- NSC-240732
- DTXSID30311257
- 16854-73-2
-
- Inchi： 1S/C17H16O2S2/c1-12-3-7-14(8-4-12)20-16(18)11-17(19)21-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
- InChI Key： NWRBQSYVPBOLOM-UHFFFAOYSA-N
- SMILES： S(C(CC(=O)SC1C=CC(C)=CC=1)=O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 316.05928
- Monoisotopic Mass: 316.05917210g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 320
- 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: 5.1
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 34.14
- LogP: 4.63110
Propanebis(thioic)acid, S1,S3-bis(4-methylphenyl) ester Related Literature
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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