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2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine-4,6-diamine

2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine-4,6-diamine

Formula: C11H11N5O2S

SMILES: NC1=CC(N)=NC(SCC2=CC=C(C=C2)[N+]([O-])=O)=N1

IUPAC: 2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine-4,6-diamine

InChI: InChI=1S/C11H11N5O2S/c12-9-5-10(13)15-11(14-9)19-6-7-1-3-8(4-2-7)16(17)18/h1-5H,6H2,(H4,12,13,14,15)

Composition: C (47.65%), H (4.00%), N (25.26%), O (11.54%), S (11.56%)

Molar Mass: 277.3

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 277.063345788
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey YDVIJASIWHCTDN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.44
Topological Polar Surface Area 120.96
Polarizability 27.23
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H11N5O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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