1-(3-cyclopropyl-5-fluorophenyl)ethanethione

C11H11FS — CID 166817161

IUPAC1-(3-cyclopropyl-5-fluorophenyl)ethanethione
SMILESCC(=S)c1cc(F)cc(C2CC2)c1
InChIInChI=1S/C11H11FS/c1-7(13)9-4-10(8-2-3-8)6-11(12)5-9/h4-6,8H,2-3H2,1H3
InChIKeyWOSDKPFXYUFJHA-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.44
Rot. Bonds2

About 1-(3-cyclopropyl-5-fluorophenyl)ethanethione

1-(3-cyclopropyl-5-fluorophenyl)ethanethione (PubChem CID 166817161) has the molecular formula C11H11FS and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5-fluorophenyl)ethanethione.

Molecular Properties

Compound Name1-(3-cyclopropyl-5-fluorophenyl)ethanethione
PubChem CID166817161
Molecular FormulaC11H11FS
Molecular Weight194.27 g/mol
Exact Mass194.06
IUPAC Name1-(3-cyclopropyl-5-fluorophenyl)ethanethione
SMILESCC(=S)c1cc(F)cc(C2CC2)c1
InChIInChI=1S/C11H11FS/c1-7(13)9-4-10(8-2-3-8)6-11(12)5-9/h4-6,8H,2-3H2,1H3
InChIKeyWOSDKPFXYUFJHA-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5-fluorophenyl)ethanethione?
The IUPAC name of 1-(3-cyclopropyl-5-fluorophenyl)ethanethione (CID 166817161) is 1-(3-cyclopropyl-5-fluorophenyl)ethanethione.
What is the SMILES notation for 1-(3-cyclopropyl-5-fluorophenyl)ethanethione?
The canonical SMILES for 1-(3-cyclopropyl-5-fluorophenyl)ethanethione is CC(=S)c1cc(F)cc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyl-5-fluorophenyl)ethanethione?
The InChIKey is WOSDKPFXYUFJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FS/c1-7(13)9-4-10(8-2-3-8)6-11(12)5-9/h4-6,8H,2-3H2,1H3.
What are the key properties of 1-(3-cyclopropyl-5-fluorophenyl)ethanethione?
1-(3-cyclopropyl-5-fluorophenyl)ethanethione has a molecular weight of 194.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5-fluorophenyl)ethanethione is sourced from PubChem (CID 166817161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).