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3-[(triphenylmethyl)sulfanyl]propanoic acid

3-[(triphenylmethyl)sulfanyl]propanoic acid

CAS: 27144-18-9

Formula: C22H20O2S

SMILES: OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-[(triphenylmethyl)sulfanyl]propanoic acid

InChI: InChI=1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)

Composition: C (75.83%), H (5.79%), O (9.18%), S (9.20%)

Molar Mass: 348.46

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 348.118401058
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AECGEIVNZGQBJT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.92
Topological Polar Surface Area 37.3
Polarizability 40.49
Ring Count 3
Rotatable Bond Count 7

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95% <5 Days 27144-18-9 $460.00-$920.00$460.00$834.00$920.00
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