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3-{[(5-chloro-2-methylphenyl)amino]methyl}-2-sulfanylideneimidazolidin-4-one

3-{[(5-chloro-2-methylphenyl)amino]methyl}-2-sulfanylideneimidazolidin-4-one

CAS: 437710-50-4

Formula: C11H12ClN3OS

SMILES: CC1=C(NCN2C(=O)CNC2=S)C=C(Cl)C=C1

IUPAC: 3-{[(5-chloro-2-methylphenyl)amino]methyl}-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1S/C11H12ClN3OS/c1-7-2-3-8(12)4-9(7)14-6-15-10(16)5-13-11(15)17/h2-4,14H,5-6H2,1H3,(H,13,17)

Composition: C (48.98%), H (4.48%), Cl (13.14%), N (15.58%), O (5.93%), S (11.89%)

Molar Mass: 269.75

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.0389609
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RCZOJHPARKAKTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.87
Topological Polar Surface Area 44.37
Polarizability 27.55
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 437710-50-4 $51.35-$86.31$51.35$63.37$86.31
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