[(Z)-(3-oxoinden-1-ylidene)amino]thiourea

C10H9N3OS — CID 6520999

IUPAC[(Z)-(3-oxoinden-1-ylidene)amino]thiourea
SMILESNC(=S)N/N=C1/CC(=O)c2ccccc21
InChIInChI=1S/C10H9N3OS/c11-10(15)13-12-8-5-9(14)7-4-2-1-3-6(7)8/h1-4H,5H2,(H3,11,13,15)/b12-8-
InChIKeyNASNLDZIYPMQQK-WQLSENKSSA-N
MW219.27 g/mol
LogP0.81
Rot. Bonds1

About [(Z)-(3-oxoinden-1-ylidene)amino]thiourea

[(Z)-(3-oxoinden-1-ylidene)amino]thiourea (PubChem CID 6520999) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is [(Z)-(3-oxoinden-1-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(Z)-(3-oxoinden-1-ylidene)amino]thiourea
PubChem CID6520999
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name[(Z)-(3-oxoinden-1-ylidene)amino]thiourea
SMILESNC(=S)N/N=C1/CC(=O)c2ccccc21
InChIInChI=1S/C10H9N3OS/c11-10(15)13-12-8-5-9(14)7-4-2-1-3-6(7)8/h1-4H,5H2,(H3,11,13,15)/b12-8-
InChIKeyNASNLDZIYPMQQK-WQLSENKSSA-N
XLogP0.81
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-oxoinden-1-ylidene)amino]thiourea?
The IUPAC name of [(Z)-(3-oxoinden-1-ylidene)amino]thiourea (CID 6520999) is [(Z)-(3-oxoinden-1-ylidene)amino]thiourea.
What is the SMILES notation for [(Z)-(3-oxoinden-1-ylidene)amino]thiourea?
The canonical SMILES for [(Z)-(3-oxoinden-1-ylidene)amino]thiourea is NC(=S)N/N=C1/CC(=O)c2ccccc21.
What is the InChIKey of [(Z)-(3-oxoinden-1-ylidene)amino]thiourea?
The InChIKey is NASNLDZIYPMQQK-WQLSENKSSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-10(15)13-12-8-5-9(14)7-4-2-1-3-6(7)8/h1-4H,5H2,(H3,11,13,15)/b12-8-.
What are the key properties of [(Z)-(3-oxoinden-1-ylidene)amino]thiourea?
[(Z)-(3-oxoinden-1-ylidene)amino]thiourea has a molecular weight of 219.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-oxoinden-1-ylidene)amino]thiourea is sourced from PubChem (CID 6520999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).