1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea

C13H11FN2OS — CID 681194

IUPAC1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea
SMILESOc1ccc(NC(=S)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FN2OS/c14-9-1-3-10(4-2-9)15-13(18)16-11-5-7-12(17)8-6-11/h1-8,17H,(H2,15,16,18)
InChIKeyIRTGKTQKAKFVCV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea

1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea (PubChem CID 681194) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea
PubChem CID681194
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea
SMILESOc1ccc(NC(=S)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FN2OS/c14-9-1-3-10(4-2-9)15-13(18)16-11-5-7-12(17)8-6-11/h1-8,17H,(H2,15,16,18)
InChIKeyIRTGKTQKAKFVCV-UHFFFAOYSA-N
XLogP3.34
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxydiphenylamine
CID 31208
N-(4-Methoxyphenyl)-N'-phenylthiourea
CID 686507
N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
p-Hydroxyphenylthiourea
CID 2759331
N-(4-Hydroxyphenyl)-N'-phenylthiourea
CID 703638
[4-[(2,3,4,5,6-Pentafluorophenyl)carbamoylamino]phenyl] sulfamate
CID 60155120
Phenol, 4,4'-iminobis-
CID 74461
2-Hydroxyphenylthiourea
CID 3003569
[4-[(2,3,4-Trifluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70684100
N-(4-Hydroxyphenyl)urea
CID 197742
4-(N'-phenylureido)phenol
CID 4447317
(3-Hydroxyphenyl)thiourea
CID 2759330

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea (CID 681194) is 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea is Oc1ccc(NC(=S)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea?
The InChIKey is IRTGKTQKAKFVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-9-1-3-10(4-2-9)15-13(18)16-11-5-7-12(17)8-6-11/h1-8,17H,(H2,15,16,18).
What are the key properties of 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea?
1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea has a molecular weight of 262.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-hydroxyphenyl)thiourea is sourced from PubChem (CID 681194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).