Cas no 126319-27-5 (1,3-Benzodithiole, 2-(methylthio)-)
126319-27-5 structure
Product Name:1,3-Benzodithiole, 2-(methylthio)-
CAS No:126319-27-5
MF:C8H8S3
MW:200.344118118286
CID:873480
PubChem ID:14643613
Update Time:2025-04-19
1,3-Benzodithiole, 2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodithiole, 2-(methylthio)-
- 2-(METHYLTHIO)-1,3-BENZODITHIOLE
- 2-methylsulfanyl-1,3-benzodithiole
-
- Inchi： 1S/C8H8S3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5,8H,1H3
- InChI Key： VDSKGWPFPTXXAK-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2SC1SC
Computed Properties
- Exact Mass: 199.97894
- Monoisotopic Mass: 199.97881378g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 123
- 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: 75.9?2
Experimental Properties
- Refractive Index: 1.722
- PSA: 0
1,3-Benzodithiole, 2-(methylthio)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
126319-27-5 (1,3-Benzodithiole, 2-(methylthio)-) Related Products
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