(7-fluoro-1H-indol-5-yl)thiourea

C9H8FN3S — CID 169358416

IUPAC(7-fluoro-1H-indol-5-yl)thiourea
SMILESNC(=S)Nc1cc(F)c2[nH]ccc2c1
InChIInChI=1S/C9H8FN3S/c10-7-4-6(13-9(11)14)3-5-1-2-12-8(5)7/h1-4,12H,(H3,11,13,14)
InChIKeyXBRVRYBFCWYGRW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.96
Rot. Bonds1

About (7-fluoro-1H-indol-5-yl)thiourea

(7-fluoro-1H-indol-5-yl)thiourea (PubChem CID 169358416) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is (7-fluoro-1H-indol-5-yl)thiourea.

Molecular Properties

Compound Name(7-fluoro-1H-indol-5-yl)thiourea
PubChem CID169358416
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name(7-fluoro-1H-indol-5-yl)thiourea
SMILESNC(=S)Nc1cc(F)c2[nH]ccc2c1
InChIInChI=1S/C9H8FN3S/c10-7-4-6(13-9(11)14)3-5-1-2-12-8(5)7/h1-4,12H,(H3,11,13,14)
InChIKeyXBRVRYBFCWYGRW-UHFFFAOYSA-N
XLogP1.96
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-5-yl)thiourea?
The IUPAC name of (7-fluoro-1H-indol-5-yl)thiourea (CID 169358416) is (7-fluoro-1H-indol-5-yl)thiourea.
What is the SMILES notation for (7-fluoro-1H-indol-5-yl)thiourea?
The canonical SMILES for (7-fluoro-1H-indol-5-yl)thiourea is NC(=S)Nc1cc(F)c2[nH]ccc2c1.
What is the InChIKey of (7-fluoro-1H-indol-5-yl)thiourea?
The InChIKey is XBRVRYBFCWYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-7-4-6(13-9(11)14)3-5-1-2-12-8(5)7/h1-4,12H,(H3,11,13,14).
What are the key properties of (7-fluoro-1H-indol-5-yl)thiourea?
(7-fluoro-1H-indol-5-yl)thiourea has a molecular weight of 209.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-5-yl)thiourea is sourced from PubChem (CID 169358416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).