1,1-bis(furan-2-yl)thiourea

C9H8N2O2S — CID 23349499

IUPAC1,1-bis(furan-2-yl)thiourea
SMILESNC(=S)N(c1ccco1)c1ccco1
InChIInChI=1S/C9H8N2O2S/c10-9(14)11(7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,(H2,10,14)
InChIKeyOMPIYCIRTLTKQB-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.25
Rot. Bonds2

About 1,1-bis(furan-2-yl)thiourea

1,1-bis(furan-2-yl)thiourea (PubChem CID 23349499) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1,1-bis(furan-2-yl)thiourea.

Molecular Properties

Compound Name1,1-bis(furan-2-yl)thiourea
PubChem CID23349499
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1,1-bis(furan-2-yl)thiourea
SMILESNC(=S)N(c1ccco1)c1ccco1
InChIInChI=1S/C9H8N2O2S/c10-9(14)11(7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,(H2,10,14)
InChIKeyOMPIYCIRTLTKQB-UHFFFAOYSA-N
XLogP2.25
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-bis(furan-2-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(furan-2-yl)thiourea?
The IUPAC name of 1,1-bis(furan-2-yl)thiourea (CID 23349499) is 1,1-bis(furan-2-yl)thiourea.
What is the SMILES notation for 1,1-bis(furan-2-yl)thiourea?
The canonical SMILES for 1,1-bis(furan-2-yl)thiourea is NC(=S)N(c1ccco1)c1ccco1.
What is the InChIKey of 1,1-bis(furan-2-yl)thiourea?
The InChIKey is OMPIYCIRTLTKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-9(14)11(7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,(H2,10,14).
What are the key properties of 1,1-bis(furan-2-yl)thiourea?
1,1-bis(furan-2-yl)thiourea has a molecular weight of 208.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(furan-2-yl)thiourea is sourced from PubChem (CID 23349499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).