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(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

CAS: 1142201-50-0

Formula: C14H9BrN2O2S

SMILES: BrC1=CC=C(O1)C=C1NC(=S)N(C1=O)C1=CC=CC=C1

IUPAC: (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1S/C14H9BrN2O2S/c15-12-7-6-10(19-12)8-11-13(18)17(14(20)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,20)/b11-8+

Composition: C (48.15%), H (2.60%), Br (22.88%), N (8.02%), O (9.16%), S (9.18%)

Molar Mass: 349.2

Atom Count: 29

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 347.956812
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KMSLULBMMJCVRR-DHZHZOJOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.19
Topological Polar Surface Area 45.48
Polarizability 31.8
Ring Count 3
Rotatable Bond Count 2

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