(3-fluorophenyl)thiourea

C7H7FN2S — CID 2734799

IUPAC(3-fluorophenyl)thiourea
SMILESNC(=S)Nc1cccc(F)c1
InChIInChI=1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyYKOBLHQALWQKTC-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.48
Rot. Bonds1

About (3-fluorophenyl)thiourea

(3-fluorophenyl)thiourea (PubChem CID 2734799) has the molecular formula C7H7FN2S and a molecular weight of 170.21 g/mol. Its IUPAC name is (3-fluorophenyl)thiourea.

Molecular Properties

Compound Name(3-fluorophenyl)thiourea
PubChem CID2734799
Molecular FormulaC7H7FN2S
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name(3-fluorophenyl)thiourea
SMILESNC(=S)Nc1cccc(F)c1
InChIInChI=1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyYKOBLHQALWQKTC-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'}

Analyze (3-fluorophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)thiourea?
The IUPAC name of (3-fluorophenyl)thiourea (CID 2734799) is (3-fluorophenyl)thiourea.
What is the SMILES notation for (3-fluorophenyl)thiourea?
The canonical SMILES for (3-fluorophenyl)thiourea is NC(=S)Nc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)thiourea?
The InChIKey is YKOBLHQALWQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11).
What are the key properties of (3-fluorophenyl)thiourea?
(3-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 (3-fluorophenyl)thiourea is sourced from PubChem (CID 2734799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).