Home Other Building Blocks 4-Methyldibenzo[b,d]thiophene

4-Methyldibenzo[b,d]thiophene

CAS No.:
7372-88-5
Catalog Number:
AG008Q9N
Molecular Formula:
C13H10S
Molecular Weight:
198.2835
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Product Description
Catalog Number:
AG008Q9N
Chemical Name:
4-Methyldibenzo[b,d]thiophene
CAS Number:
7372-88-5
Molecular Formula:
C13H10S
Molecular Weight:
198.2835
MDL Number:
MFCD00216258
IUPAC Name:
4-methyldibenzothiophene
InChI:
InChI=1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
InChI Key:
NICUQYHIOMMFGV-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1sc1c2cccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.283g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Towards a scheme of toxic equivalency factors (TEFs) for the acute toxicity of PAHs in sediment. Ecotoxicology and environmental safety 20111101
Fragmentation pathways of some benzothiophene radical cations formed by atmospheric pressure chemical ionisation. Rapid communications in mass spectrometry : RCM 20090301
Determination of PASHs by various analytical techniques based on gas chromatography-mass spectrometry: application to a biodesulfurization process. Talanta 20080615
Development of a species-specific isotope dilution GC-ICP-MS method for the determination of thiophene derivates in petroleum products. Analytical and bioanalytical chemistry 20080101
Determination of polycyclic aromatic sulfur heterocycles in diesel particulate matter and diesel fuel by gas chromatography with atomic emission detection. Journal of chromatography. A 20060505
Liquid-phase adsorption of multi-ring thiophenic sulfur compounds on carbon materials with different surface properties. The journal of physical chemistry. B 20060316
Selective catalytic oxidation of organosulfur compounds with tert-butyl hydroperoxide. Chemistry (Weinheim an der Bergstrasse, Germany) 20060220
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Synthetic, structural and binding studies of the 4,6-dimethyldibenzothiophene complex [(eta(5)-C(5)Me(5))Ru(CO)(2)(eta(1)(S)-4,6-Me(2)DBT)]BF(4): toward an understanding of deep hydrodesulfurization. Journal of the American Chemical Society 20030226
Properties