(4-fluorophenyl)thiourea

C7H7FN2S — CID 693061

IUPAC(4-fluorophenyl)thiourea
SMILESNC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyBRWKXKNZRVALNZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.48
Rot. Bonds1

About (4-fluorophenyl)thiourea

(4-fluorophenyl)thiourea (PubChem CID 693061) has the molecular formula C7H7FN2S and a molecular weight of 170.21 g/mol. Its IUPAC name is (4-fluorophenyl)thiourea.

Molecular Properties

Compound Name(4-fluorophenyl)thiourea
PubChem CID693061
Molecular FormulaC7H7FN2S
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name(4-fluorophenyl)thiourea
SMILESNC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyBRWKXKNZRVALNZ-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)thiourea?
The IUPAC name of (4-fluorophenyl)thiourea (CID 693061) is (4-fluorophenyl)thiourea.
What is the SMILES notation for (4-fluorophenyl)thiourea?
The canonical SMILES for (4-fluorophenyl)thiourea is NC(=S)Nc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)thiourea?
The InChIKey is BRWKXKNZRVALNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11).
What are the key properties of (4-fluorophenyl)thiourea?
(4-fluorophenyl)thiourea has a molecular weight of 170.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)thiourea is sourced from PubChem (CID 693061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).