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2-{[2-(2-chlorophenyl)ethyl]sulfanyl}benzoic acid

2-{[2-(2-chlorophenyl)ethyl]sulfanyl}benzoic acid

CAS: 1142202-49-0

Formula: C15H13ClO2S

SMILES: OC(=O)C1=C(SCCC2=C(Cl)C=CC=C2)C=CC=C1

IUPAC: 2-{[2-(2-chlorophenyl)ethyl]sulfanyl}benzoic acid

InChI: InChI=1S/C15H13ClO2S/c16-13-7-3-1-5-11(13)9-10-19-14-8-4-2-6-12(14)15(17)18/h1-8H,9-10H2,(H,17,18)

Composition: C (61.54%), H (4.48%), Cl (12.11%), O (10.93%), S (10.95%)

Molar Mass: 292.78

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 292.0324785
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MKYIOSFMRGRTLC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.29
Topological Polar Surface Area 37.3
Polarizability 30.76
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142202-49-0 $202.14$202.14
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