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24795-76-4 | Pyrimidine, 2,4,6-trichloro-5-(methylthio)-
CAS No: 24795-76-4 Catalog No: AG002PGX MDL No:
Product Description
Catalog Number:
AG002PGX
Chemical Name:
Pyrimidine, 2,4,6-trichloro-5-(methylthio)-
CAS Number:
24795-76-4
Molecular Formula:
C5H3Cl3N2S
Molecular Weight:
229.5147
IUPAC Name:
2,4,6-trichloro-5-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H3Cl3N2S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3
InChI Key:
DDWBEROMBZXLNB-UHFFFAOYSA-N
SMILES:
CSc1c(Cl)nc(nc1Cl)Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.908g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.503g/mol
Monoisotopic Mass:
227.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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