[3-(trifluoromethylsulfanyl)phenyl]urea

C8H7F3N2OS — CID 69375069

IUPAC[3-(trifluoromethylsulfanyl)phenyl]urea
SMILESNC(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-3-1-2-5(4-6)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKeyGECMFRTZOZZDIF-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.79
Rot. Bonds2

About [3-(trifluoromethylsulfanyl)phenyl]urea

[3-(trifluoromethylsulfanyl)phenyl]urea (PubChem CID 69375069) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is [3-(trifluoromethylsulfanyl)phenyl]urea.

Molecular Properties

Compound Name[3-(trifluoromethylsulfanyl)phenyl]urea
PubChem CID69375069
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Name[3-(trifluoromethylsulfanyl)phenyl]urea
SMILESNC(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-3-1-2-5(4-6)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKeyGECMFRTZOZZDIF-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethylsulfanyl)phenyl]urea?
The IUPAC name of [3-(trifluoromethylsulfanyl)phenyl]urea (CID 69375069) is [3-(trifluoromethylsulfanyl)phenyl]urea.
What is the SMILES notation for [3-(trifluoromethylsulfanyl)phenyl]urea?
The canonical SMILES for [3-(trifluoromethylsulfanyl)phenyl]urea is NC(=O)Nc1cccc(SC(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethylsulfanyl)phenyl]urea?
The InChIKey is GECMFRTZOZZDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-3-1-2-5(4-6)13-7(12)14/h1-4H,(H3,12,13,14).
What are the key properties of [3-(trifluoromethylsulfanyl)phenyl]urea?
[3-(trifluoromethylsulfanyl)phenyl]urea has a molecular weight of 236.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethylsulfanyl)phenyl]urea is sourced from PubChem (CID 69375069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).