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33089-15-5 | 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
CAS No: 33089-15-5 Catalog No: AG003L29 MDL No:MFCD00507261
Product Description
Catalog Number:
AG003L29
Chemical Name:
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
CAS Number:
33089-15-5
Molecular Formula:
C6H4ClN3S
Molecular Weight:
185.6341
MDL Number:
MFCD00507261
IUPAC Name:
4-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H4ClN3S/c1-11-6-9-3-4(2-8)5(7)10-6/h3H,1H3
InChI Key:
IGIRTCCCRNZFSQ-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)Cl)C#N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.629g/mol
Monoisotopic Mass:
184.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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