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

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

CAS: 1142201-58-8

Formula: C15H10ClN3OS

SMILES: ClC1=NC=CC=C1C=C1NC(=S)N(C1=O)C1=CC=CC=C1

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

InChI: InChI=1S/C15H10ClN3OS/c16-13-10(5-4-8-17-13)9-12-14(20)19(15(21)18-12)11-6-2-1-3-7-11/h1-9H,(H,18,21)/b12-9+

Composition: C (57.05%), H (3.19%), Cl (11.23%), N (13.31%), O (5.07%), S (10.15%)

Molar Mass: 315.78

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.0233108
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KBLQJTJQZADAIZ-FMIVXFBMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.1
Topological Polar Surface Area 45.23
Polarizability 33.12
Ring Count 3
Rotatable Bond Count 2

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