Cas no 53135-95-8 (1-Naphthalenesulfonylchloride, 5-(methylthio)-)
53135-95-8 structure
Product Name:1-Naphthalenesulfonylchloride, 5-(methylthio)-
CAS No:53135-95-8
MF:C11H9ClO2S2
MW:272.770959615707
CID:377021
PubChem ID:40626
Update Time:2025-04-19
1-Naphthalenesulfonylchloride, 5-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenesulfonylchloride, 5-(methylthio)-
- 5-(METHYLTHIO)-1-NAPHTHALENESULFONYL CHLORIDE
- 5-methylsulfanylnaphthalene-1-sulfonyl chloride
- 53135-95-8
- DTXSID30201220
-
- Inchi： 1S/C11H9ClO2S2/c1-15-10-6-2-5-9-8(10)4-3-7-11(9)16(12,13)14/h2-7H,1H3
- InChI Key： RDMPPPXDERTAFG-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC=C2C(=CC=CC2=1)SC)(=O)=O
Computed Properties
- Exact Mass: 271.97337
- Monoisotopic Mass: 271.973249
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 336
- 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
- Topological Polar Surface Area: 67.8
- XLogP3: 3.7
Experimental Properties
- Density: 1.47±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 411.5°Cat760mmHg
- Flash Point: 202.7°C
- Refractive Index: 1.686
- Solubility: Almost insoluble (0.022 g/l) (25 o C),
- PSA: 34.14
1-Naphthalenesulfonylchloride, 5-(methylthio)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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