3-Methylthioanisole 1-甲基-3-(甲硫基)苯

CAS 4886-77-5 MFCD01683019

化学结构图

4886-77-5
SMILES: CSc1cccc(C)c1

化学属性

Mol. FormulaC8H10S
Mol. Weight138.24

别名和识别编码

Chemical Name3-Methylthioanisole
Synonym methyl-m-tolyl sulfide Methyl m-tolyl sulfide 3-Methyl methylthiophenol 1-Methyl-3-(methylthio)benzene; 1-Methyl-3-methylsulfanylbenzene Benzene, 1-methyl-3-(methylthio)- 3-Methylthiotoluene 1-Methyl-3-(methylthio)benzene m-tolyl methyl sulphide m-Methylthioanisole
CAS Number4886-77-5
Wiswesser Line Notation1SR C1
Beilstein Registry Number2040355
InChIKeyHCQVSQDSAZSABA-UHFFFAOYSA-N
Chemical Name Translation1-甲基-3-(甲硫基)苯
LabNetwork Molecule IDLN01996753
PubChem Substance ID21005
InChIInChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfide; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemist

安全信息

RTECSWQ5550000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 13 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   8,302,1978

系列性分类


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