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1416374-75-8 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 7-methyl-2-(methylthio)-
CAS No: 1416374-75-8 Catalog No: AG001GRQ MDL No:MFCD23099447
Product Description
Catalog Number:
AG001GRQ
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 7-methyl-2-(methylthio)-
CAS Number:
1416374-75-8
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD23099447
IUPAC Name:
7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C9H9N3O2S/c1-12-6(8(13)14)3-5-4-10-9(15-2)11-7(5)12/h3-4H,1-2H3,(H,13,14)
InChI Key:
STSMOHVIEUHNGV-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)n(C)c(c2)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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