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1-Methyl-5-(thiophen-2-yl)-1H-pyrazole structure

1-Methyl-5-(thiophen-2-yl)-1H-pyrazole
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1. Names and Identifiers
1.1 Name
1-Methyl-5-(thiophen-2-yl)-1H-pyrazole
1.2 Synonyms
1-Methyl-5-(2-thienyl)-1H-pyrazole;
1.3 CAS No.
876316-68-6
1.4 CID
16216710
1.5 Molecular Formula
C8H8N2S
1.6 Inchi
InChI=1S/C8H8N2S/c1-10-7(4-5-9-10)8-3-2-6-11-8/h2-6H,1H3
1.7 InChkey
YTGTYWLNJQJMIP-UHFFFAOYSA-N
1.8 Canonical Smiles
CN1C(=CC=N1)C2=CC=CS2
1.9 Isomers Smiles
CN1C(=CC=N1)C2=CC=CS2
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
3. Synthesis Route
876316-68-6Total: 2 Synthesis Route
 
2786-07-4
2786-07-4 4 Suppliers
 
34091-51-5
34091-51-5 18 Suppliers
 
876316-68-6
876316-68-6 3 Suppliers
 
3437-95-4
3437-95-4 117 Suppliers
 
34091-51-5
34091-51-5 18 Suppliers
 
876316-68-6
876316-68-6 3 Suppliers
4. Precursor and Product
precursor:
3437-95-4
3437-95-4
2786-07-4
2786-07-4
34091-51-5
34091-51-5
5. Computed Properties
  • Molecular Weight：164.226g/mol
  • Molecular Formula：C8H8N2S
  • Compound Is Canonicalized：True
  • Exact Mass：1.6
  • XLogP3-AA：164.04081944
  • Monoisotopic Mass：164.04081944
  • Complexity：140
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：2
  • Topological Polar Surface Area：46.1
  • Heavy Atom Count：：11
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADccBzAABAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAAB4AAAHAQIAAAACAjFVgS+gZIIAAimATRnRACTBIAhihBY2Dg4ZJgIIKLg0dGEpAhgiABoyAcQgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 3 Suppliers View more
1-methyl-5-(thiophen-2-yl)-1H-pyrazole
SHANGHAI T&W PHARMACEUTICAL CO., LTD.
China
Tel: Update Time:2021/11/25
inquire
1-methyl-5-thiophen-2-ylpyrazole
Nanjing Aiyi Pharmaceutical Technology Co., Ltd.
China
Tel: Update Time:2019/04/01
inquire
1-Methyl-5-(thiophen-2-yl)-1H-pyrazole
International Laboratory Limited
USA
Tel: Update Time:2022/01/01
inquire
7. Realated Product Infomation
 
1. Names and Identifiers
2. Msds
3. Synthesis Route
4. Precursor and Product
5. Computational chemical data
6. Toltal 3 Suppliers
7. Realated Product Infomation
 
 
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