1,3-bis(furan-2-ylmethyl)thiourea

C11H12N2O2S — CID 3034210

IUPAC1,3-bis(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)NCc1ccco1
InChIInChI=1S/C11H12N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1-6H,7-8H2,(H2,12,13,16)
InChIKeyUPLWHRBYCKGWOL-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.04
Rot. Bonds4

About 1,3-bis(furan-2-ylmethyl)thiourea

1,3-bis(furan-2-ylmethyl)thiourea (PubChem CID 3034210) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1,3-bis(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1,3-bis(furan-2-ylmethyl)thiourea
PubChem CID3034210
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1,3-bis(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)NCc1ccco1
InChIInChI=1S/C11H12N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1-6H,7-8H2,(H2,12,13,16)
InChIKeyUPLWHRBYCKGWOL-UHFFFAOYSA-N
XLogP2.04
TPSA50.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.04
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 1,3-bis(furan-2-ylmethyl)thiourea?
The IUPAC name of 1,3-bis(furan-2-ylmethyl)thiourea (CID 3034210) is 1,3-bis(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1,3-bis(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1,3-bis(furan-2-ylmethyl)thiourea is S=C(NCc1ccco1)NCc1ccco1.
What is the InChIKey of 1,3-bis(furan-2-ylmethyl)thiourea?
The InChIKey is UPLWHRBYCKGWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1-6H,7-8H2,(H2,12,13,16).
What are the key properties of 1,3-bis(furan-2-ylmethyl)thiourea?
1,3-bis(furan-2-ylmethyl)thiourea has a molecular weight of 236.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 3034210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).