Cas no 721949-04-8 (Thiazole, 4-pentyl-)
Thiazole, 4-pentyl- structure
Product Name:Thiazole, 4-pentyl-
CAS No:721949-04-8
MF:C8H13NS
MW:155.26052069664
CID:840213
Update Time:2024-03-05
Thiazole, 4-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiazole, 4-pentyl-
- Thiazole,4-pentyl
- 4-Pentylthiazole
-
- Inchi： 1S/C8H13NS/c1-2-3-4-5-8-6-10-7-9-8/h6-7H,2-5H2,1H3
- InChI Key： CMJMVIPRQVYPPE-UHFFFAOYSA-N
- SMILES： S1C=C(CCCCC)N=C1
Computed Properties
- Exact Mass: 155.077
- Monoisotopic Mass: 155.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 85.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.1A^2
Experimental Properties
- Density: 1.005±0.06 g/cm3(Predicted)
- Boiling Point: 223.6±9.0 °C(Predicted)
- pka: 3.08±0.10(Predicted)
Thiazole, 4-pentyl- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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