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87791-38-6 | 7H-Pyrrolo[2,3-d]pyrimidine, 7-methyl-4-(methylthio)-
CAS No: 87791-38-6 Catalog No: AG004KS8 MDL No:
Product Description
Catalog Number:
AG004KS8
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 7-methyl-4-(methylthio)-
CAS Number:
87791-38-6
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
IUPAC Name:
7-methyl-4-methylsulfanylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H9N3S/c1-11-4-3-6-7(11)9-5-10-8(6)12-2/h3-5H,1-2H3
InChI Key:
WVRRDOFPYJVMNF-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1ccn2C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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