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Thiazole, 2,5-dihydro-2,2-dimethyl-5-pentyl- structure

Thiazole, 2,5-dihydro-2,2-dimethyl-5-pentyl-

 
1. Names and Identifiers
1.1 Name
Thiazole, 2,5-dihydro-2,2-dimethyl-5-pentyl-
1.2 Synonyms
2,2-Dimethyl-5-pentyl-3-thiazoline; 2,2-DIMETHYL-5-PENTYL-5H-1,3-THIAZOLE; ACMC-20l9k3; CTK3C6399; Thiazole,2,5-dihydro-2,2-dimethyl-5-pentyl; Thiazole,2,5-dihydro-2,2-dimethyl-5-pentyl-,(R);
1.3 CAS No.
86835-45-2
1.4 CID
13067815
1.5 Molecular Formula
C10H19NS
1.6 Inchi
InChI=1S/C10H19NS/c1-4-5-6-7-9-8-11-10(2,3)12-9/h8-9H,4-7H2,1-3H3
1.7 InChkey
MCUWHFORSHLUTB-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCC1C=NC(S1)(C)C
1.9 Isomers Smiles
CCCCCC1C=NC(S1)(C)C
2. Synthesis Route
86835-45-2Total: 1 Synthesis Route
 
16486-84-3
16486-84-3 1 Suppliers
 
67-64-1
67-64-1
 
3. Precursor and Product
4. Computed Properties
  • Molecular Weight:185.33g/mol
  • Molecular Formula:C10H19NS
  • Compound Is Canonicalized:True
  • Exact Mass:3.1
  • XLogP3-AA:185.12382078
  • Monoisotopic Mass:185.12382078
  • Complexity:163
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.7
  • Heavy Atom Count::12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADceByAABAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAQAAAAACAjFQASCAAIAAAggABAhBAAAAABAABAAAAAwAAAAAAIgAAAAAAAAAAAgAAEAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
 
 
 
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