(4-fluoro-2-hydroxy-6-iodophenyl)thiourea

C7H6FIN2OS — CID 169356798

IUPAC(4-fluoro-2-hydroxy-6-iodophenyl)thiourea
SMILESNC(=S)Nc1c(O)cc(F)cc1I
InChIInChI=1S/C7H6FIN2OS/c8-3-1-4(9)6(5(12)2-3)11-7(10)13/h1-2,12H,(H3,10,11,13)
InChIKeyJTFJSSFBNGNVIW-UHFFFAOYSA-N
MW312.11 g/mol
LogP1.79
Rot. Bonds1

About (4-fluoro-2-hydroxy-6-iodophenyl)thiourea

(4-fluoro-2-hydroxy-6-iodophenyl)thiourea (PubChem CID 169356798) has the molecular formula C7H6FIN2OS and a molecular weight of 312.11 g/mol. Its IUPAC name is (4-fluoro-2-hydroxy-6-iodophenyl)thiourea.

Molecular Properties

Compound Name(4-fluoro-2-hydroxy-6-iodophenyl)thiourea
PubChem CID169356798
Molecular FormulaC7H6FIN2OS
Molecular Weight312.11 g/mol
Exact Mass311.92
IUPAC Name(4-fluoro-2-hydroxy-6-iodophenyl)thiourea
SMILESNC(=S)Nc1c(O)cc(F)cc1I
InChIInChI=1S/C7H6FIN2OS/c8-3-1-4(9)6(5(12)2-3)11-7(10)13/h1-2,12H,(H3,10,11,13)
InChIKeyJTFJSSFBNGNVIW-UHFFFAOYSA-N
XLogP1.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-hydroxy-6-iodophenyl)thiourea?
The IUPAC name of (4-fluoro-2-hydroxy-6-iodophenyl)thiourea (CID 169356798) is (4-fluoro-2-hydroxy-6-iodophenyl)thiourea.
What is the SMILES notation for (4-fluoro-2-hydroxy-6-iodophenyl)thiourea?
The canonical SMILES for (4-fluoro-2-hydroxy-6-iodophenyl)thiourea is NC(=S)Nc1c(O)cc(F)cc1I.
What is the InChIKey of (4-fluoro-2-hydroxy-6-iodophenyl)thiourea?
The InChIKey is JTFJSSFBNGNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2OS/c8-3-1-4(9)6(5(12)2-3)11-7(10)13/h1-2,12H,(H3,10,11,13).
What are the key properties of (4-fluoro-2-hydroxy-6-iodophenyl)thiourea?
(4-fluoro-2-hydroxy-6-iodophenyl)thiourea has a molecular weight of 312.11 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxy-6-iodophenyl)thiourea is sourced from PubChem (CID 169356798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).