Cas no 62615-57-0 (Naphtho[1,2-b]thiophene-5-carbonitrile, 2,3-dimethyl-)
![Naphtho[1,2-b]thiophene-5-carbonitrile, 2,3-dimethyl- structure](https://ossimg.kuujia.com/scimg/63000/62615-57-0x500.png)
62615-57-0 structure
Product Name:Naphtho[1,2-b]thiophene-5-carbonitrile, 2,3-dimethyl-
CAS No:62615-57-0
MF:C15H11NS
MW:237.319542169571
CID:438110
PubChem ID:12326965
Update Time:2025-04-19
Naphtho[1,2-b]thiophene-5-carbonitrile, 2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[1,2-b]thiophene-5-carbonitrile, 2,3-dimethyl-
- 2,3-dimethylbenzo[g][1]benzothiole-5-carbonitrile
- 2,3-DIMETHYLNAPHTHO[1,2-B]THIOPHENE-5-CARBONITRILE
- 62615-57-0
- DTXSID60489751
-
- Inchi： 1S/C15H11NS/c1-9-10(2)17-15-13-6-4-3-5-12(13)11(8-16)7-14(9)15/h3-7H,1-2H3
- InChI Key： DVCIKSPVGYGFGB-UHFFFAOYSA-N
- SMILES： S1C(C)=C(C)C2C=C(C#N)C3C=CC=CC=3C1=2
Computed Properties
- Exact Mass: 237.06133
- Monoisotopic Mass: 237.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 344
- 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: 4.7
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 23.79
Naphtho[1,2-b]thiophene-5-carbonitrile, 2,3-dimethyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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