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WAY 181187 structure
WAY 181187 structure

WAY 181187

Iupac Name:2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
CAS No.: 554403-49-5
Molecular Weight:380.865
Modify Date.: 2022-11-09 14:28
1. Names and Identifiers
1.1 Name
WAY 181187
1.2 Synonyms

1-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)sulfonyl]-1H-indole-3-ethanamine 1H-Indole-3-ethanamine, 1-[(6-chloroimidazo[2,1-b]thiazol-5-yl)sulfonyl]- 2-[1-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine 2-[1-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-1H-indol-3-yl]ethylamine SAX-187 WAY 181187 WAY181187 HCl WAY181187 HYDROCHLORIDE WAY-181187(SAX-187) WAY181187.HCl(WAY-181,187)

1.3 CAS No.
554403-49-5
1.4 CID
10150497
1.5 Molecular Formula
C15H13ClN4O2S2 (isomer)
1.6 Inchi
InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
1.7 InChkey
RYBOXBBYCVOYNO-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=C(N=C4N3C=CS4)Cl)CCN
1.9 Isomers Smiles
C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=C(N=C4N3C=CS4)Cl)CCN
2. Properties
3.1 Density
1.67±0.1 g/cm3(Predicted)
3.1 PSA
119.01000
3.1 logP
4.52320
3.1 Solubility
Insuluble (5.0E-3 g/L) (25 oC),
3.2 pKa
9.30±0.10(Predicted)
3. 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

4. Computational chemical data
  • Molecular Weight: 380.865g/mol
  • Molecular Formula: C15H13ClN4O2S2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.8
  • Exact Mass: 380.0168457
  • Monoisotopic Mass: 380.0168457
  • Complexity: 572
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 119
  • Heavy Atom Count: 24
  • 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: AAADccBzsABkAAAAAAAAAAAAAAAAAWLFgAAwAAAAAAAWAFgB/gAAHAYQQAAADArFXiS90fdMGAqkAzRnZHDK8L1xGrhJ2Kw4dJiIaOLAmZHUIAhokALIyCcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
5. Recommended Suppliers
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WAY 181187
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/metric ton
  • Time: 2022/07/06
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2-[1-(6-CHLORO-IMIDAZO[2,1-B]THIAZOLE-5-SULFONYL)-1H-INDOL-3-YL]-ETHYLAMINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
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2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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6. Realated Product Infomation