2-(Methylthio)Benzimidazole 2-甲巯基苯并咪唑

CAS 7152-24-1 MFCD00005594

化学结构图

7152-24-1
SMILES: CSc1nc2ccccc2[nH]1

化学属性

Mol. FormulaC8H8N2S
Mol. Weight164.23
Melting Point202-205 °C
TSCAYes
Boiling Point347.2°C at 760 mmHg

别名和识别编码

Chemical Name2-(Methylthio)Benzimidazole
Synonym 2-(Methylthio)benzimidazole {LY} 2-(Methylthio)benzimidazole {} {LY} 2-(Methylthio)benzimidazole {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)benzimidazole {} {} {} {} {} {} {} {}
MDL NumberMFCD00005594
CAS Number7152-24-1
EC Number230-494-5
Beilstein Registry Number0122360
PubChem Substance ID23539
Reaxys-RN122360
Chemical Name Translation2-甲巯基苯并咪唑
Wiswesser Line NotationT56 BM DNJ CS1
InChIKeyOCKJFOHZLXIAAT-UHFFFAOYSA-N
LabNetwork Molecule IDLN01074736
InChIInChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
Canonical SMILESCSC1=NC2=CC=CC=C2N1
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分类

  • {SNA} Benzimidazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSDD9480000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHDDAT Comptes Rendus des Seances de l'Academie des Sciences, Serie D:
   Sciences Naturelles.  (Paris, France)  V.262-291, 1966-80.  For publisher
   information, see CRASEV.  Volume(issue)/page/year: 270,2502,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04989

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 图谱信息:2-甲巯基苯并咪唑(7152-24-1)核磁图( 1 HNMR) 2-甲巯基苯并咪唑(7152-24-1)质谱(MS) 2-甲巯基苯并咪唑(7152-24-1)红外图谱(IR2) 2-甲巯基苯并咪唑(7152-24-1)红外图谱(IR1)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzimidazoles 苯并咪唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzimidazoles 苯并咪唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑

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