Cas no 51175-50-9 (Naphtho[2,3-b]furan-3(2H)-one, 2-(methylthio)-)
![Naphtho[2,3-b]furan-3(2H)-one, 2-(methylthio)- structure](https://ossimg.kuujia.com/scimg/51500/51175-50-9x500.png)
51175-50-9 structure
Product Name:Naphtho[2,3-b]furan-3(2H)-one, 2-(methylthio)-
CAS No:51175-50-9
MF:C13H10O2S
MW:230.282302379608
CID:363055
PubChem ID:12715523
Update Time:2025-04-19
Naphtho[2,3-b]furan-3(2H)-one, 2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[2,3-b]furan-3(2H)-one, 2-(methylthio)-
- 2-methylsulfanylbenzo[f][1]benzofuran-3-one
- DTXSID30507799
- SCHEMBL11710593
- 2-(Methylsulfanyl)naphtho[2,3-b]furan-3(2H)-one
- 51175-50-9
-
- Inchi： 1S/C13H10O2S/c1-16-13-12(14)10-6-8-4-2-3-5-9(8)7-11(10)15-13/h2-7,13H,1H3
- InChI Key： KVKUDQYWCFYZBU-UHFFFAOYSA-N
- SMILES： S(C)C1C(C2C=C3C=CC=CC3=CC=2O1)=O
Computed Properties
- Exact Mass: 230.0402
- Monoisotopic Mass: 230.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 26.3
Naphtho[2,3-b]furan-3(2H)-one, 2-(methylthio)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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