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5-[(3-bromophenyl)(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[(3-bromophenyl)(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C19H19BrN4O4S2

SMILES: CN1C(=O)C(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2=CC(Br)=CC=C2)C(=O)N(C)C1=S

IUPAC: 5-[(3-bromophenyl)(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C19H19BrN4O4S2/c1-21-14(25)12(15(26)22(2)18(21)29)11(9-6-5-7-10(20)8-9)13-16(27)23(3)19(30)24(4)17(13)28/h5-8,11-13H,1-4H3

Composition: C (44.62%), H (3.74%), Br (15.62%), N (10.96%), O (12.51%), S (12.54%)

Molar Mass: 511.41

Atom Count: 49

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 510.00311
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KHAMOYOTODFODS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 122.53
Topological Polar Surface Area 81.24
Polarizability 47.37
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H19BrN4O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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