Thioisonicotinamide 硫代异烟酰胺

CAS 2196-13-6 MFCD00006437

化学结构图

2196-13-6
SMILES: NC(=S)c1ccncc1

化学属性

Mol. FormulaC6H6N2S
Mol. Weight138
Melting Point199-200
TSCAYes
Density1.422

别名和识别编码

Chemical NameThioisonicotinamide
CAS Number2196-13-6
Alfabeta NamePYRIDYLTHIOAMIDE 4-
MDL NumberMFCD00006437
Synonym 4-Pyridinethiocarboxamide 4-Pyridinecarboxamide, thio- Thio-4-pyridinecarboxamide 4-PYRIDINECARBOTHIOAMIDE Isonicotinamide, thio- Isothionicotinamide PYRIDINE-4-CARBOTHIOAMIDE 4-PYRIDYLTHIOCARBOXAMIDE ISOTHIONICOTINAMIDE 吡啶-4-硫代酰胺 thio-4-pyridinecarboxamid Pyridin-4-carbonsäurethioamid AKOS BBS-00004465 4-Pyridinecarbothioamide SALOR-INT L496626-1EA 4-吡啶硫代酰胺 吡啶-4-硫代酰胺 硫异烟酰胺 LABOTEST-BB LT00111945 thioisonicotinamide 4-Pyridylthiocarboxamide isonicotinthioamide pyridine-4-thiocarboxamide Isonicotinsäurethioamid 4-Pyridinethioamide, 4-Pyridylthioamide, Pyridine-4-carbothioamide, Thioisonicotinamide {JNK}
EC Number218-592-6
Beilstein Registry Number0002174
Reaxys-RN2174
PubChem Substance ID2723788
Chemical Name Translation硫代异烟酰胺
InChIKeyKPIIGXWUNXGGCP-UHFFFAOYSA-N
Wiswesser Line NotationT6NJ DYZUS
LabNetwork Molecule IDLN00140279
InChIInChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • Impurities
  • Sulfur & Selenium Compounds
  • Heterocycles
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Aromatics

产品应用

  • Thioisonicotinamide is an impurity of Ethionamide (E890420) with tuberculostatic activity.

相关文献及参考

  • Pappalardo, G. et al.: Farm. Ediz. Sco., 22, 808 (1967); Waisser, K. et al.: Cesk.-Slov. Farm., 33, 99 (1984); Devani, M. B. et al.: J. Pharmac. Sci., 43, 1471 (1974);
  • 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
  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

安全信息

Warnings IRRITANT
RTECSUS4204000
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JOCEAH Journal of Organic Chemistry.  (American Chemical Soc., Distribution
   Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037)  V.1-
   1936-  Volume(issue)/page/year: 19,753,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

其他信息

  • Sigma Aldrich:2196-13-6(sigmaaldrich)
  • 硫代异烟酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0764 硫代异烟酰胺 Thioisonicotinamide 5G 252元 2014/06/02 T0764 硫代异烟酰胺 Thioisonicotinamide 25G 476元 2010/05/25 B25265 硫异烟酰胺, 98% Thioisonicotinamide, 98% 25g 3038元
  • Alfa Aesar:硫异烟酰胺,98% Thioisonicotinamide, 98%(2196-13-6)
  • MOL 文件:2196-13-6.mol
  • TCI Shanghai:4-吡啶硫代酰胺 Thioisonicotinamide,>;95.0%(T)(2196-13-6)
  • 图谱信息:硫代异烟酰胺(2196-13-6)红外图谱(IR1) 硫代异烟酰胺(2196-13-6)红外图谱(IR3) 硫代异烟酰胺(2196-13-6)红外图谱(IR2) 硫代异烟酰胺(2196-13-6)质谱(MS) 硫代异烟酰胺(2196-13-6)核磁图( 1 HNMR)

系列性分类

  1. C6 to C7 - Pyridines
  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. Pyridines 吡啶

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