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2-phenyl-1??,2-thiazolidine-1,1-dione

2-phenyl-1??,2-thiazolidine-1,1-dione

CAS: 76906-24-6

Formula: C9H11NO2S

SMILES: O=S1(=O)CCCN1C1=CC=CC=C1

IUPAC: 2-phenyl-1??,2-thiazolidine-1,1-dione

InChI: InChI=1S/C9H11NO2S/c11-13(12)8-4-7-10(13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

Composition: C (54.80%), H (5.62%), N (7.10%), O (16.22%), S (16.25%)

Molar Mass: 197.25

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.051049772
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BWJFQHYJOQVWGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.66
Topological Polar Surface Area 37.38
Polarizability 20.41
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 76906-24-6 $171.81-$216.32$171.81$216.32
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