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27622-90-8 | 1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CAS No: 27622-90-8 Catalog No: AG002U9Y MDL No:MFCD00052777
Product Description
Catalog Number:
AG002U9Y
Chemical Name:
1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CAS Number:
27622-90-8
Molecular Formula:
C5H8N4S
Molecular Weight:
156.2088
MDL Number:
MFCD00052777
IUPAC Name:
4-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
InChI:
InChI=1S/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChI Key:
CQORBMDQIUWHGC-UHFFFAOYSA-N
SMILES:
CSc1nc(C)nc(n1)N
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.207g/mol
Monoisotopic Mass:
156.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone. | Journal of medicinal chemistry 20090813 |
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