quinolin-3-ylthiourea

C10H9N3S — CID 1480927

IUPACquinolin-3-ylthiourea
SMILESNC(=S)Nc1cnc2ccccc2c1
InChIInChI=1S/C10H9N3S/c11-10(14)13-8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14)
InChIKeyFWHWMBUEPKVKDX-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.89
Rot. Bonds1

About quinolin-3-ylthiourea

quinolin-3-ylthiourea (PubChem CID 1480927) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is quinolin-3-ylthiourea.

Molecular Properties

Compound Namequinolin-3-ylthiourea
PubChem CID1480927
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Namequinolin-3-ylthiourea
SMILESNC(=S)Nc1cnc2ccccc2c1
InChIInChI=1S/C10H9N3S/c11-10(14)13-8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14)
InChIKeyFWHWMBUEPKVKDX-UHFFFAOYSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 quinolin-3-ylthiourea?
The IUPAC name of quinolin-3-ylthiourea (CID 1480927) is quinolin-3-ylthiourea.
What is the SMILES notation for quinolin-3-ylthiourea?
The canonical SMILES for quinolin-3-ylthiourea is NC(=S)Nc1cnc2ccccc2c1.
What is the InChIKey of quinolin-3-ylthiourea?
The InChIKey is FWHWMBUEPKVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-10(14)13-8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14).
What are the key properties of quinolin-3-ylthiourea?
quinolin-3-ylthiourea has a molecular weight of 203.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-ylthiourea is sourced from PubChem (CID 1480927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).