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1,3-dihydrospiro[quinazoline-2,4'-thian]-4-one

1,3-dihydrospiro[quinazoline-2,4'-thian]-4-one

Formula: C12H14N2OS

SMILES: O=C1NC2(CCSCC2)NC2=C1C=CC=C2

IUPAC: 3,4-dihydro-1H-spiro[quinazoline-2,4'-thian]-4-one

InChI: InChI=1S/C12H14N2OS/c15-11-9-3-1-2-4-10(9)13-12(14-11)5-7-16-8-6-12/h1-4,13H,5-8H2,(H,14,15)

Composition: C (61.51%), H (6.02%), N (11.96%), O (6.83%), S (13.68%)

Molar Mass: 234.32

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.082684253
Formal Charge 0
FSP3 0.42
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ODYSTGFFNRXWOJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.06
Topological Polar Surface Area 41.13
Polarizability 25.11
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H14N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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