[2-(trifluoromethoxy)phenyl]thiourea

C8H7F3N2OS — CID 2732749

IUPAC[2-(trifluoromethoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKeyHYKOSRYWIURWQI-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.24
Rot. Bonds2

About [2-(trifluoromethoxy)phenyl]thiourea

[2-(trifluoromethoxy)phenyl]thiourea (PubChem CID 2732749) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is [2-(trifluoromethoxy)phenyl]thiourea.

Molecular Properties

Compound Name[2-(trifluoromethoxy)phenyl]thiourea
PubChem CID2732749
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Name[2-(trifluoromethoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKeyHYKOSRYWIURWQI-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'}

Analyze [2-(trifluoromethoxy)phenyl]thiourea with MolForge

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

Launch Full Analysis

Related Compounds

2-Mercaptobenzoxazole
CID 712377
N-(o-Methoxyphenyl)thiourea
CID 722774
(4-(Trifluoromethoxy)phenyl)urea
CID 2779224
N-(5-Chloro-2-methoxyphenyl)thiourea
CID 2732660
4-Thioureidoanisole
CID 667549
2'-(Trifluoromethoxy)acetanilide
CID 600772
1-Ethyl-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 888433
2-Ureidoanisole
CID 98753
1-(4-(Trifluoromethoxy)phenyl)-2-thiourea
CID 2777352
1-Methyl-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 971826
N-(2-Ethoxyphenyl)thiourea
CID 2758773
N-cyclododecyl-N'-(2-methoxyphenyl)thiourea
CID 2730963

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethoxy)phenyl]thiourea?
The IUPAC name of [2-(trifluoromethoxy)phenyl]thiourea (CID 2732749) is [2-(trifluoromethoxy)phenyl]thiourea.
What is the SMILES notation for [2-(trifluoromethoxy)phenyl]thiourea?
The canonical SMILES for [2-(trifluoromethoxy)phenyl]thiourea is NC(=S)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of [2-(trifluoromethoxy)phenyl]thiourea?
The InChIKey is HYKOSRYWIURWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15).
What are the key properties of [2-(trifluoromethoxy)phenyl]thiourea?
[2-(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 [2-(trifluoromethoxy)phenyl]thiourea is sourced from PubChem (CID 2732749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).