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1-{[(4-fluorophenyl)methyl]amino}-3-[(4-fluorophenyl)sulfanyl]propan-2-ol hydrochloride

1-{[(4-fluorophenyl)methyl]amino}-3-[(4-fluorophenyl)sulfanyl]propan-2-ol hydrochloride

CAS: 256370-13-5

Formula: C16H18ClF2NOS

SMILES: Cl.OC(CNCC1=CC=C(F)C=C1)CSC1=CC=C(F)C=C1

IUPAC: 1-{[(4-fluorophenyl)methyl]amino}-3-[(4-fluorophenyl)sulfanyl]propan-2-ol hydrochloride

InChI: InChI=1/C16H17F2NOS.ClH/c17-13-3-1-12(2-4-13)9-19-10-15(20)11-21-16-7-5-14(18)6-8-16;/h1-8,15,19-20H,9-11H2;1H

Composition: C (55.57%), H (5.25%), Cl (10.25%), F (10.99%), N (4.05%), O (4.63%), S (9.27%)

Molar Mass: 345.83

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 345.0765694
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DTZLTESXHCXBFD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.75
Topological Polar Surface Area 32.26
Polarizability 31.79
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 256370-13-5 $51.35-$86.31$51.35$63.37$86.31
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