Tetrahydrothiopyran-4-one 四氢噻喃-4-酮

CAS 1072-72-6 MFCD00006660

化学结构图

1072-72-6
SMILES: O=c1ccscc1

化学属性

Mol. FormulaC5H8OS
Mol. Weight116.18
Melting Point60-64°C
Density1.422
TSCANo
Boiling Point140.82 °C at 760 mmHg

别名和识别编码

Chemical NameTetrahydrothiopyran-4-one
CAS Number1072-72-6
Alfabeta NameTETRAHYDROTHIOPYRANONE H44----
MDL NumberMFCD00006660
Beilstein Registry Number106464
EC Number214-015-7
PubChem Substance ID66173
Synonym Tetrahydrothiopyran-4-one {LY} Tetrahydrothiopyran-4-one {} {LY} Tetrahydrothiopyran-4-one {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrahydrothiopyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation四氢噻喃-4-酮
Reaxys-RN106464
LabNetwork Molecule IDLN00008692
InChIInChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
Canonical SMILESO=C1CCSCC1
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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
  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 6RingOnly; 6ring; ketone; sulfide; 1fragment
  • Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing

产品应用

  • 用于各种缩合反应,制备二肽、螺咪唑啉酮、四氢咔唑和 α-羟基酯。

相关文献及参考

  • 1. Synthesis , 672, (1994)
  • 2. J. Heterocycl. Chem. 31 , 397, (1994)
  • 3. J. Heterocycl. Chem. 30 , 81, (1993)
  • 4. Synlett , 1605, (2007)
  • Beil. 17 ,V,9,21
  • FT-IR 2 (1), 727:B / FT-IR 1 (1), 463:B / FT-NMR 1 (1), 726:B / IR-Spectra (2), 245:F / IR-Spectra (3), 274:F / NMR-Reference 2 (1), 418:B / RegBook 1 (1), 503:A / Sigma FT-IR 1 (2), 911:D / Vapor Phase 3 , 548:C
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational const

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
  • R36 Irritating to eyes 刺激眼睛
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • Acros Organics:四氢硫代吡喃-4-酮 Tetrahydrothiopyran-4-one, 99%(1072-72-6)
  • MOL 文件:1072-72-6.mol
  • TCI Shanghai:四氢硫代吡喃-4-酮 4-Oxothiane,>;97.0%(GC)(1072-72-6)
  • 图谱信息:四氢噻喃-4-酮(1072-72-6)红外图谱(IR1) 四氢噻喃-4-酮(1072-72-6)红外图谱(IR2) 四氢噻喃-4-酮(1072-72-6)质谱(MS) 四氢噻喃-4-酮(1072-72-6)核磁图( 13 CNMR) 四氢噻喃-4-酮(1072-72-6)核磁图( 1 HNMR)
  • Sigma Aldrich:1072-72-6(sigmaaldrich)
  • 四氢噻喃-4-酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 O0112 四氢噻喃-4-酮 4-Oxothiane 25G 3850元 2014/06/02 O0112 四氢噻喃-4-酮 4-Oxothiane 5G 1110元 2010/06/21 167980050 四氢噻喃-4-酮 Tetrahydrothiopyran-4-one 99% 5 GR 1685元
  • Hazard Note:Irritant
  • 1072-72-6生产企业:合肥诺德医药科技有限公司
  • Alfa Aesar:四氢噻喃-4-酮,99% Tetrahydro-4H-thiopyran-4-one, 99%(1072-72-6)
  • 外观:白色结晶粉末。
  • MSDS 信息:4-Thiacyclohexanone(1072-72-6).msds

系列性分类


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