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2-(1-benzothiophen-3-yl)oxirane

2-(1-benzothiophen-3-yl)oxirane

CAS: 26168-40-1

Formula: C10H8OS

SMILES: C1OC1C1=CSC2=CC=CC=C12

IUPAC: 2-(1-benzothiophen-3-yl)oxirane

InChI: InChI=1/C10H8OS/c1-2-4-10-7(3-1)8(6-12-10)9-5-11-9/h1-4,6,9H,5H2

Composition: C (68.15%), H (4.58%), O (9.08%), S (18.19%)

Molar Mass: 176.23

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 176.029586052
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IBEHOBLMFNEOIC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.67
Topological Polar Surface Area 12.53
Polarizability 20.15
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 26168-40-1 $108.68-$400.55$108.68$400.55
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