1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea

C14H17F3N2S — CID 2349771

IUPAC1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea
SMILESFC(F)(F)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C14H17F3N2S/c15-14(16,17)10-6-8-12(9-7-10)19-13(20)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20)
InChIKeyFJGGQZQKALQUTM-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.32
Rot. Bonds2

About 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea

1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea (PubChem CID 2349771) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea
PubChem CID2349771
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea
SMILESFC(F)(F)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C14H17F3N2S/c15-14(16,17)10-6-8-12(9-7-10)19-13(20)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20)
InChIKeyFJGGQZQKALQUTM-UHFFFAOYSA-N
XLogP4.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Methiuron
CID 3034319
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
p-Tolylthiourea
CID 722833
Krm-iii
CID 736689
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1,5-diphenyl-1H-imidazole-2-thiol
CID 807871
Thiourea, N-phenyl-N'-(3-phenylpropyl)-
CID 3549496
1,3-Bis(o-tolyl)thiourea
CID 688028
3,4-Dihydro-4,4,6-trimethyl-1-(4-methylphenyl)-2(1H)-pyrimidinethione
CID 704292
N,N'-Bis(4-methylphenyl)thiourea
CID 688021
(4-Ethylphenyl)thiourea
CID 2758896
1-(4-Aminophenyl)-4-phenyl-1H-imidazole-2-thiol
CID 853539

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea (CID 2349771) is 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea is FC(F)(F)c1ccc(NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea?
The InChIKey is FJGGQZQKALQUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c15-14(16,17)10-6-8-12(9-7-10)19-13(20)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea?
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea has a molecular weight of 302.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]thiourea is sourced from PubChem (CID 2349771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).