1,3,5-Trithiane 1,3,5-三噻烷

CAS 291-21-4 MFCD00006653

化学结构图

291-21-4
SMILES: C1SCSCS1

化学属性

Mol. FormulaC3H6S3
Mol. Weight138.27
Melting Point215-220 °C
Boiling Point230.7±20.0 °C at 760mmHg

别名和识别编码

Chemical Name1,3,5-Trithiane
Synonym 1,3,5-Trithiane {LY} 1,3,5-Trithiane {} {LY} 1,3,5-Trithiane {} {} {LY} 1,3,5-Trithiane {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00006653
PubChem Substance ID9264
Beilstein Registry Number19,382
CAS Number291-21-4
EC Number206-029-7
Reaxys-RN79834
Chemical Name Translation1,3,5-三噻烷
Wiswesser Line NotationT6S CS ESTJ
InChIKeyLORRLQMLLQLPSJ-UHFFFAOYSA-N
InChIInChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
LabNetwork Molecule IDLN00224063
Canonical SMILESC1SCSCS1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, S-Containing
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Beil. 19 ,V,9,105
  • FT-IR 2 (1), 437:A / FT-IR 1 (1), 273:B / IR-Spectra (3), 160:D / IR-Spectra (2), 143:F / RegBook 1 (1), 289:G / Structure Index 1 , 40:B:4
  • Fieser 3 ,329 / Fieser 4 ,564
  • Short: II/19a Title: Molecular Constants: Rotational, l-type, Centrifugal Distortion and Related Constants of Diamagnetic Diatomic, Linear, and Symmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19a Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54409-7 ISBN: 978-3-540-54409-8 Internet Resource: DOI:10.1007/b42304 RefComment: XI, 143 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19a contains a general introduction and tables of rotational and centrifugal distortion constants of diamagnetic, diatomic, linear and symmetric top molecules, which specify the frequences of the rotational transitions of these types of rotor.
  • Short: II/2 Title: Magnetic Properties of Coordination and Organometallic Transition Metal Compounds Author: König, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Bö

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P337+P313
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
RTECSYL8225000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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

Storage condition

其他信息

  • 用途一:用于有机合成
  • Sigma Aldrich:291-21-4(sigmaaldrich)
  • S-三聚硫代甲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0532 1,3,5-三噻烷 1,3,5-Trithiane 25G 659元 2010/06/21 140520250 S-三聚硫代甲 s-Trithiane 97% 25 GR 629元 2010/06/21 140520050 S-三聚硫代甲 s-Trithiane 97% 5 GR 259元
  • TCI Shanghai:1,3,5-三噻烷 1,3,5-Trithiane,>;98.0%(GC)(291-21-4)
  • MOL 文件:291-21-4.mol
  • 图谱信息:S-三聚硫代甲(291-21-4)红外图谱(IR2) S-三聚硫代甲(291-21-4)核磁图( 1 HNMR) S-三聚硫代甲(291-21-4)红外图谱(IR1) S-三聚硫代甲(291-21-4)质谱(MS) S-三聚硫代甲(291-21-4)核磁图( 13 CNMR)
  • Acros Organics:均-三噻烷 s-Trithiane, 97%(291-21-4)

系列性分类


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