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144708-08-7 | Pyrimidine, 2-chloro-5-(propylthio)-
CAS No: 144708-08-7 Catalog No: AG001K1E MDL No:
Product Description
Catalog Number:
AG001K1E
Chemical Name:
Pyrimidine, 2-chloro-5-(propylthio)-
CAS Number:
144708-08-7
Molecular Formula:
C7H9ClN2S
Molecular Weight:
188.6778
IUPAC Name:
2-chloro-5-propylsulfanylpyrimidine
InChI:
InChI=1S/C7H9ClN2S/c1-2-3-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChI Key:
KKYZKENWPRMGAH-UHFFFAOYSA-N
SMILES:
CCCSc1cnc(nc1)Cl
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.673g/mol
Monoisotopic Mass:
188.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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