3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol

C16H10ClFS — CID 164521009

IUPAC3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol
SMILESFc1ccc(Cl)cc1-c1cc2ccccc2cc1S
InChIInChI=1S/C16H10ClFS/c17-12-5-6-15(18)13(9-12)14-7-10-3-1-2-4-11(10)8-16(14)19/h1-9,19H
InChIKeyLGQTVUZOUGWUDK-UHFFFAOYSA-N
MW288.77 g/mol
LogP5.59
Rot. Bonds1

About 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol

3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol (PubChem CID 164521009) has the molecular formula C16H10ClFS and a molecular weight of 288.77 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol
PubChem CID164521009
Molecular FormulaC16H10ClFS
Molecular Weight288.77 g/mol
Exact Mass288.02
IUPAC Name3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol
SMILESFc1ccc(Cl)cc1-c1cc2ccccc2cc1S
InChIInChI=1S/C16H10ClFS/c17-12-5-6-15(18)13(9-12)14-7-10-3-1-2-4-11(10)8-16(14)19/h1-9,19H
InChIKeyLGQTVUZOUGWUDK-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.77
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol (CID 164521009) is 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol is Fc1ccc(Cl)cc1-c1cc2ccccc2cc1S.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol?
The InChIKey is LGQTVUZOUGWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFS/c17-12-5-6-15(18)13(9-12)14-7-10-3-1-2-4-11(10)8-16(14)19/h1-9,19H.
What are the key properties of 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol?
3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol has a molecular weight of 288.77 g/mol, XLogP of 5.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol is sourced from PubChem (CID 164521009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).