Tetrahydropyrimidine-2(1H)-Thione 四氢嘧啶-2(1H)-硫酮

CAS 2055-46-1 MFCD00060526

化学结构图

2055-46-1
SMILES: S=C1NCCCN1

化学属性

Mol. FormulaC4H8N2S
Mol. Weight116.18472
Melting Point210-212 °C
Boiling Point171.6±23.0 °C at 760 mmHg

别名和识别编码

Chemical NameTetrahydropyrimidine-2(1H)-Thione
CAS Number2055-46-1
Alfabeta NameTETRAHYDROPYRIMIDINETHIONE H21()--
MDL NumberMFCD00060526
Synonym Tetrahydropyrimidine-2(1H)-thione {LY} Tetrahydropyrimidine-2(1H)-thione {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydropyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID2723785
EC Number218-152-3
Chemical Name Translation四氢嘧啶-2(1H)-硫酮
Wiswesser Line NotationT6MYMTJ BUS
InChIKeyNVHNGVXBCWYLFA-UHFFFAOYSA-N
LabNetwork Molecule IDLN00119157
Canonical SMILESS=C1NCCCN1
InChIInChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
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分类

  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • 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.
  • 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

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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)。
  • 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
  • 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
RTECSUW5782000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 560 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,214,1968

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Hazard Note:Irritant
  • Sigma Aldrich:2055-46-1(sigmaaldrich)
  • MOL 文件:2055-46-1.mol

系列性分类


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