(4-fluoro-3-methylphenyl)thiourea

C8H9FN2S — CID 18343660

IUPAC(4-fluoro-3-methylphenyl)thiourea
SMILESCc1cc(NC(N)=S)ccc1F
InChIInChI=1S/C8H9FN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)
InChIKeyXYVGPDSMFNFXMU-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.79
Rot. Bonds1

About (4-fluoro-3-methylphenyl)thiourea

(4-fluoro-3-methylphenyl)thiourea (PubChem CID 18343660) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)thiourea.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)thiourea
PubChem CID18343660
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC Name(4-fluoro-3-methylphenyl)thiourea
SMILESCc1cc(NC(N)=S)ccc1F
InChIInChI=1S/C8H9FN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)
InChIKeyXYVGPDSMFNFXMU-UHFFFAOYSA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.79
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-fluoro-3-methylphenyl)thiourea?
The IUPAC name of (4-fluoro-3-methylphenyl)thiourea (CID 18343660) is (4-fluoro-3-methylphenyl)thiourea.
What is the SMILES notation for (4-fluoro-3-methylphenyl)thiourea?
The canonical SMILES for (4-fluoro-3-methylphenyl)thiourea is Cc1cc(NC(N)=S)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)thiourea?
The InChIKey is XYVGPDSMFNFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (4-fluoro-3-methylphenyl)thiourea?
(4-fluoro-3-methylphenyl)thiourea has a molecular weight of 184.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)thiourea is sourced from PubChem (CID 18343660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).