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1-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

1-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

Formula: C12H18N2OS

SMILES: CC1=CC(C)=NC(SCC(=O)C(C)(C)C)=N1

IUPAC: 1-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

InChI: InChI=1S/C12H18N2OS/c1-8-6-9(2)14-11(13-8)16-7-10(15)12(3,4)5/h6H,7H2,1-5H3

Composition: C (60.47%), H (7.61%), N (11.75%), O (6.71%), S (13.45%)

Molar Mass: 238.35

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.113984382
Formal Charge 0
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FNXVDJGGZAWCOJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.1
Topological Polar Surface Area 42.85
Polarizability 26.26
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H18N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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