Cas no 53301-48-7 (1,3-Benzodithiole, 2-methoxy-)
1,3-Benzodithiole, 2-methoxy- structure
Product Name:1,3-Benzodithiole, 2-methoxy-
CAS No:53301-48-7
MF:C8H8OS2
MW:184.278519630432
CID:357604
PubChem ID:11344419
Update Time:2025-04-19
1,3-Benzodithiole, 2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodithiole, 2-methoxy-
- 2-methoxy-1,3-benzodithiole
- CHEMBL186440
- DTXSID30462950
- 53301-48-7
- 2-Methoxy-benzo[1,3]dithiole
-
- Inchi： 1S/C8H8OS2/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5,8H,1H3
- InChI Key： KPDMNMPVXNLAMZ-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2SC1OC
Computed Properties
- Exact Mass: 184.00174
- Monoisotopic Mass: 184.00165722g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 126
- 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: 2.8
- Topological Polar Surface Area: 59.8?2
Experimental Properties
- PSA: 9.23
1,3-Benzodithiole, 2-methoxy- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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