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16585-37-8 | Thiazole, 5-(1-methylethyl)-
CAS No: 16585-37-8 Catalog No: AG001WEB MDL No:MFCD23701490
Product Description
Catalog Number:
AG001WEB
Chemical Name:
Thiazole, 5-(1-methylethyl)-
CAS Number:
16585-37-8
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
MDL Number:
MFCD23701490
IUPAC Name:
5-propan-2-yl-1,3-thiazole
InChI:
InChI=1S/C6H9NS/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3
InChI Key:
GUCKIHDYYQOYJB-UHFFFAOYSA-N
SMILES:
CC(c1scnc1)C
Properties
Complexity:
72.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of some netropsin analogues. | Organic & biomolecular chemistry 20041107 |
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