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5-(2-methylpropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-(2-methylpropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

CAS: 4399-40-0

Formula: C13H16N2OS

SMILES: CC(C)CC1NC(=S)N(C1=O)C1=CC=CC=C1

IUPAC: 5-(2-methylpropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1/C13H16N2OS/c1-9(2)8-11-12(16)15(13(17)14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)

Composition: C (62.87%), H (6.49%), N (11.28%), O (6.44%), S (12.91%)

Molar Mass: 248.34

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 248.098334317
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FMVWVPAXPVSWER-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.88
Topological Polar Surface Area 32.34
Polarizability 28.28
Ring Count 2
Rotatable Bond Count 3

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