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86627-44-3 | Acetamide, 2-[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]-
CAS No: 86627-44-3 Catalog No: AG004OZX MDL No:
Product Description
Catalog Number:
AG004OZX
Chemical Name:
Acetamide, 2-[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]-
CAS Number:
86627-44-3
Molecular Formula:
C8H11ClN4OS
Molecular Weight:
246.7171
IUPAC Name:
2-[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C8H11ClN4OS/c1-13(2)7-3-5(9)11-8(12-7)15-4-6(10)14/h3H,4H2,1-2H3,(H2,10,14)
InChI Key:
QQHSCMQISUSANK-UHFFFAOYSA-N
SMILES:
NC(=O)CSc1nc(Cl)cc(n1)N(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.713g/mol
Monoisotopic Mass:
246.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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