[4-(trifluoromethoxy)phenyl]thiourea

C8H7F3N2OS — CID 2777352

IUPAC[4-(trifluoromethoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKeyUCOXNOVULREFCO-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.24
Rot. Bonds2

About [4-(trifluoromethoxy)phenyl]thiourea

[4-(trifluoromethoxy)phenyl]thiourea (PubChem CID 2777352) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]thiourea.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]thiourea
PubChem CID2777352
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Name[4-(trifluoromethoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKeyUCOXNOVULREFCO-UHFFFAOYSA-N
XLogP2.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(trifluoromethoxy)phenyl]thiourea?
The IUPAC name of [4-(trifluoromethoxy)phenyl]thiourea (CID 2777352) is [4-(trifluoromethoxy)phenyl]thiourea.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]thiourea?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]thiourea is NC(=S)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]thiourea?
The InChIKey is UCOXNOVULREFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15).
What are the key properties of [4-(trifluoromethoxy)phenyl]thiourea?
[4-(trifluoromethoxy)phenyl]thiourea has a molecular weight of 236.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]thiourea is sourced from PubChem (CID 2777352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).