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1006599-54-7 | 2-Pyrimidinamine, 5-[2-(methylthio)ethoxy]-
CAS No: 1006599-54-7 Catalog No: AG0002L9 MDL No:MFCD20694880
Product Description
Catalog Number:
AG0002L9
Chemical Name:
2-Pyrimidinamine, 5-[2-(methylthio)ethoxy]-
CAS Number:
1006599-54-7
Molecular Formula:
C7H11N3OS
Molecular Weight:
185.2467
MDL Number:
MFCD20694880
IUPAC Name:
5-(2-methylsulfanylethoxy)pyrimidin-2-amine
InChI:
InChI=1S/C7H11N3OS/c1-12-3-2-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChI Key:
PZXBGPBKYUSLBG-UHFFFAOYSA-N
SMILES:
CSCCOc1cnc(nc1)N
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.062g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.245g/mol
Monoisotopic Mass:
185.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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