Home Other Building Blocks 3-CYCLOPROPYL-THIOPHENE

3-CYCLOPROPYL-THIOPHENE

CAS No.:
29576-51-0
Catalog Number:
AG01DWBA
Molecular Formula:
C7H8S
Molecular Weight:
124.2034
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Product Description
Catalog Number:
AG01DWBA
Chemical Name:
3-CYCLOPROPYL-THIOPHENE
CAS Number:
29576-51-0
Molecular Formula:
C7H8S
Molecular Weight:
124.2034
MDL Number:
MFCD25962002
IUPAC Name:
3-cyclopropylthiophene
InChI:
InChI=1S/C7H8S/c1-2-6(1)7-3-4-8-5-7/h3-6H,1-2H2
InChI Key:
VJZURLOLAINIDN-UHFFFAOYSA-N
SMILES:
c1scc(c1)C1CC1
Properties
Complexity:
86.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.035g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.201g/mol
Monoisotopic Mass:
124.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. Journal of medicinal chemistry 20101111
Properties