Cas no 57341-12-5 (1,4-Naphthalenedione, 2-(phenylthio)-)
57341-12-5 structure
Product Name:1,4-Naphthalenedione, 2-(phenylthio)-
CAS No:57341-12-5
MF:C16H10O2S
MW:266.314403057098
CID:345716
PubChem ID:622329
Update Time:2025-04-19
1,4-Naphthalenedione, 2-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2-(phenylthio)-
- 2-phenylsulfanylnaphthalene-1,4-dione
- 2-Phenylthio-1,4-naphthoquinone
- 2-(Phenylsulfanyl)naphthoquinone
- 2-(Phenylsulfanyl)naphthoquinone #
- SCHEMBL17250106
- CHEMBL269468
- 2-phenylsulfanyl-naphthalene-1,4-dione
- DTXSID80347506
- 2-Phenylsulfanyl-[1,4]naphthoquinone
- YRZIOOUBKJSECZ-UHFFFAOYSA-N
- 57341-12-5
-
- Inchi: 1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
- InChI Key: YRZIOOUBKJSECZ-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1)C1=CC(C2C=CC=CC=2C1=O)=O
Computed Properties
- Exact Mass: 266.0402
- Monoisotopic Mass: 266.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 407
- 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: 3.6
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 2-(phenylthio)- Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
57341-12-5 (1,4-Naphthalenedione, 2-(phenylthio)-) Related Products
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