4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine


Chemical Name: 4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number: 57564-94-0
Product Number: AG00ECYW(AGN-PC-0LQ1CV)
Synonyms:
MDL No:
Molecular Formula: C7H6ClN3S
Molecular Weight: 199.6606

Identification/Properties


Computed Properties
Molecular Weight:
199.656g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
198.997g/mol
Monoisotopic Mass:
198.997g/mol
Topological Polar Surface Area:
66.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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