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1-(phenylsulfanyl)propan-2-one

1-(phenylsulfanyl)propan-2-one

CAS: 5042-53-5

Formula: C9H10OS

SMILES: CC(=O)CSC1=CC=CC=C1

IUPAC: 1-(phenylsulfanyl)propan-2-one

InChI: InChI=1S/C9H10OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

Composition: C (65.03%), H (6.06%), O (9.62%), S (19.29%)

Molar Mass: 166.24

Atom Count: 21

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.045236116
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XREBEJBUPRGGTB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.6
Topological Polar Surface Area 17.07
Polarizability 18.98
Ring Count 1
Rotatable Bond Count 3

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Kinentia Biosciences LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 5042-53-5 $94.50-$354.38$94.50$354.38
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MATRIX SCIENTIFIC
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95% <2 Days 5042-53-5 $79.14-$318.71$79.14$318.71
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