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1630906-59-0 | 5-Pyrimidinamine, 2,4-dichloro-6-(methylthio)-
CAS No: 1630906-59-0 Catalog No: AG001TQ8 MDL No:MFCD27988083
Product Description
Catalog Number:
AG001TQ8
Chemical Name:
5-Pyrimidinamine, 2,4-dichloro-6-(methylthio)-
CAS Number:
1630906-59-0
Molecular Formula:
C5H5Cl2N3S
Molecular Weight:
210.0843
MDL Number:
MFCD27988083
IUPAC Name:
2,4-dichloro-6-methylsulfanylpyrimidin-5-amine
InChI:
InChI=1S/C5H5Cl2N3S/c1-11-4-2(8)3(6)9-5(7)10-4/h8H2,1H3
InChI Key:
IQRJRBSSGZKAHO-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)nc(c1N)Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.076g/mol
Monoisotopic Mass:
208.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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