1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea

C11H12N2OS2 — CID 3518148

IUPAC1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)NCc1cccs1
InChIInChI=1S/C11H12N2OS2/c15-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-16-10/h1-6H,7-8H2,(H2,12,13,15)
InChIKeyAIRLMLZLDRTLIM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.51
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea

1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 3518148) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
PubChem CID3518148
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)NCc1cccs1
InChIInChI=1S/C11H12N2OS2/c15-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-16-10/h1-6H,7-8H2,(H2,12,13,15)
InChIKeyAIRLMLZLDRTLIM-UHFFFAOYSA-N
XLogP2.51
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea (CID 3518148) is 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea is S=C(NCc1ccco1)NCc1cccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is AIRLMLZLDRTLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c15-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-16-10/h1-6H,7-8H2,(H2,12,13,15).
What are the key properties of 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea?
1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 252.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 3518148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).