Home Other Building Blocks 4-(pyridin-3-yl)-2,3-dihydro-1,3-thiazol-2-one

4-(pyridin-3-yl)-2,3-dihydro-1,3-thiazol-2-one

CAS No.:
806643-27-6
Catalog Number:
AG01A8RG
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
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Product Description
Catalog Number:
AG01A8RG
Chemical Name:
4-(pyridin-3-yl)-2,3-dihydro-1,3-thiazol-2-one
CAS Number:
806643-27-6
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD11220477
IUPAC Name:
4-pyridin-3-yl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-2-1-3-9-4-6/h1-5H,(H,10,11)
InChI Key:
LMYBMQXKKKIWQE-UHFFFAOYSA-N
SMILES:
O=c1scc([nH]1)c1cccnc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties