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115581-36-7 | Pyrimidine, 2-chloro-5-(methylthio)-
CAS No: 115581-36-7 Catalog No: AG000G7G MDL No:MFCD22044944
Product Description
Catalog Number:
AG000G7G
Chemical Name:
Pyrimidine, 2-chloro-5-(methylthio)-
CAS Number:
115581-36-7
Molecular Formula:
C5H5ClN2S
Molecular Weight:
160.6246
MDL Number:
MFCD22044944
IUPAC Name:
2-chloro-5-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H5ClN2S/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3
InChI Key:
UGWJTFHCCZHCDI-UHFFFAOYSA-N
SMILES:
CSc1cnc(nc1)Cl
Properties
Complexity:
83
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.619g/mol
Monoisotopic Mass:
159.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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