2-Thiazoline-2-Thiol 2-巯基噻唑啉

CAS 96-53-7 MFCD00126013

化学结构图

96-53-7
SMILES: S=C1NCCS1

化学属性

Mol. FormulaC3H5NS2
Mol. Weight119.21
Density1.422
Melting Point100-105°C
TSCAYes
Solubility溶于热水
Boiling Point188.9°C at 760 mmHg

别名和识别编码

Chemical Name2-Thiazoline-2-Thiol
CAS Number96-53-7
Synonym 2-Mercapto-2-thiazoline {LY} 2-Mercapto-2-thiazoline {} {LY} 2-Mercapto-2-thiazoline {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-2-thiazoline
MDL NumberMFCD00126013
EC Number202-512-1
Beilstein Registry Number106332
PubChem Substance ID87572178
Reaxys-RN106332
Chemical Name Translation2-巯基噻唑啉
InChIKeyWGJCBBASTRWVJL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00220548
InChIInChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
Canonical SMILESS=C1SCCN1
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分类

  • Sulfur & Selenium Compounds
  • Heterocycles
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Thiazolines/Thiazolidines
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SNA} Active Esters/Additives, Chemical Biology, Chemical Synthesis, Coupling, Peptide Chemistry, Peptide Coupling, Synthetic Reagents

产品应用

  • 用于高选择性手性合成青霉烷和碳青霉烷类 β-内酰胺抗生素的工具。

相关文献及参考

  • Reaction with ɑ-bromo esters gives the S-alkoxycarbonylmethyl derivatives, which can be C-alkylated by alkyl halides, using NaH as base. Sulfur-free products can be obtained by reduction (Zn/AcOH) to give the substituted acetic acid, or by reaction with iodidomethane to give the corresponding ɑ-iodo ester: Tetrahedron Lett., 2677 (1977).
  • Thomes, J. et al.: Jap. J. Pharmacol., 58, 201 (1992); Buxeraud, J. et al.: Eur. J. Med. Chem., 20, 43 (1985); Cheng, J. et al.: Nongyao, 38, 12 (1999);
  • Used in the chain-lengthening of alkyl halides by trans-iodopropenylenation: Org. Synth. Coll., 6, 704 (1988):

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
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。
  • P301+P310
  • P301+P310+P330
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSXJ6122000
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
Hazard Codes 6.1 Xn
Hazard Class6.1
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 97,478,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 90,260,1947

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 710 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RAREAE Radiation Research.  (Academic Press, Inc., 1 E. First St., Duluth,
   MN 55802)  V.1-    1954-  Volume(issue)/page/year: 7,22,1957

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

  • TCI Shanghai:2-巯基噻唑啉 2-Mercaptothiazoline,>;98.0%(T)(96-53-7)
  • 图谱信息:2-巯基噻唑啉(96-53-7)红外图谱(IR2) 2-巯基噻唑啉(96-53-7)红外图谱(IR1) 2-巯基噻唑啉(96-53-7)质谱(MS) 2-巯基噻唑啉(96-53-7)核磁图( 13 CNMR) 2-巯基噻唑啉(96-53-7)核磁图( 1 HNMR)
  • MOL 文件:96-53-7.mol
  • MSDS 信息:2-Mercaptothiazoline(96-53-7).msds
  • 用途二:医药中间体。该品经水解得到半胱胺,是H2受体拮抗剂西咪替丁、雷尼替丁的中间体。
  • Alfa Aesar:2-巯基噻唑啉,97% 2-Mercaptothiazoline, 97%(96-53-7)
  • 海关编码:29341000
  • 上游原料:乙醇胺
  • Acros Organics:2-巯基噻唑啉 2-Mercaptothiazoline, 98%(96-53-7)
  • 2-巯基噻唑啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0065 2-巯基噻唑啉 2-Mercaptothiazoline 25G 195元 2014/06/02 M0065 2-巯基噻唑啉 2-Mercaptothiazoline 500G 1300元 2010/06/21 125561000 2-巯基噻唑啉 2-Mercaptothiazoline 98% 100 GR 320元
  • 下游产品:4-乙酰氧基氮杂环丁酮
  • 用途一:酸性光亮镀铜添加剂,可获得良好光亮度与整平性,起光速度快
  • Sigma Aldrich:96-53-7(sigmaaldrich)
  • 检测方法:GC,NMR
  • 方法一:乙醇胺以硫酸酯化,再与二硫化碳在氢氧化钠作用下环合而得。

系列性分类


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