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29488-27-5 | Thiophene, 3-(1-methylethyl)-
CAS No: 29488-27-5 Catalog No: AG002YK4 MDL No:MFCD18451741
Product Description
Catalog Number:
AG002YK4
Chemical Name:
Thiophene, 3-(1-methylethyl)-
CAS Number:
29488-27-5
Molecular Formula:
C7H10S
Molecular Weight:
126.2193
MDL Number:
MFCD18451741
IUPAC Name:
3-propan-2-ylthiophene
InChI:
InChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-6H,1-2H3
InChI Key:
LJPDBPCGTFTUDE-UHFFFAOYSA-N
SMILES:
CC(c1cscc1)C
Properties
Complexity:
68.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.217g/mol
Monoisotopic Mass:
126.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and HMG CoA reductase inhibition of 4-thiophenyl quinolines as potential hypocholesterolemic agents. | Bioorganic & medicinal chemistry 20071215 |
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