N-Carbamothioylbenzamide 1-苄基-2-硫脲

CAS 614-23-3 MFCD00041191

化学结构图

614-23-3
SMILES: NC(=S)NC(=O)c1ccccc1

化学属性

Mol. FormulaC8H8N2OS
Mol. Weight180
Melting Point170 to 174 deg-C
TSCANo

别名和识别编码

Chemical NameN-Carbamothioylbenzamide
Synonym Benzamide, N-thiocarbamoyl- Benzoylthiourea,98% N-Benzoylthiourea Benzoyl-thiourea Benzamide, N-(aminothioxomethyl)- 1-benzoyl-2-thio-ure 苯甲酰硫代脲 Necacyl 1-Benzoyl-2-thiourea Urea, 1-benzoyl-2-thio- Benzoylthiourea 1-苯甲酰-2-硫脲 BENZOYLTHIOUREA n-(aminothioxomethyl)-benzamid 1-BENZOYL-2-THIOUREA 1-Benzoylthiourea n-thiocarbamoyl-benzamid necacyl BENZOYL THIOUREA Urea,1-benzoyl-2-thio- N-thiocarbamoyl-Benzamide N-BENZOYLTHIOUREA 1-benzoylthiourea 苯酰硫代脲,98% 苯甲醯硫脲 苯酰硫代脲
MDL NumberMFCD00041191
CAS Number614-23-3
Beilstein Registry Number9(3)1120
Chemical Name Translation1-苄基-2-硫脲
Reaxys-RN1942772
PubChem Substance ID2735473
InChIKeyDQMWMUMCNOJLSI-UHFFFAOYSA-N
Wiswesser Line NotationSUYZMVR
LabNetwork Molecule IDLN01740355
InChIInChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
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分类

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

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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 CD-ROM's.
  • Short: ELINCS Title: Sixth publication of Elincs (according to Article 21 of Directive 67/548/EEC) Page: 1-131 Year: 2003 Keyword: European List of Notified Chemical Substances Internet Resource: http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=CELEX:52003DC0642:EN:NOT Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=eli

安全信息

RTECSYS1450000
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Hazard Codes Xi
GHS Symbol
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • 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。
Hazard statements
  • H302 Harmful if swallowed 吞食有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 178 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#00509

其他信息

  • 图谱信息:1-苯甲酰-2-硫脲 (614-23-3)质谱(MS) 1-苯甲酰-2-硫脲 (614-23-3)核磁图( 1 HNMR) 1-苯甲酰-2-硫脲 (614-23-3)核磁图( 13 CNMR) 1-苯甲酰-2-硫脲 (614-23-3)红外图谱(IR1) 1-苯甲酰-2-硫脲 (614-23-3)红外图谱(IR2)
  • Hazard Note:Irritant
  • Alfa Aesar:苯甲酰硫代脲,98% N-Benzoylthiourea, 98%(614-23-3)
  • MOL 文件:614-23-3.mol
  • TCI Shanghai:1-苯甲酰-2-硫脲 N-Benzoylthiourea,>;98.0%(LC)(N)(614-23-3)

系列性分类

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