1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea

C13H14N2OS2 — CID 8564804

IUPAC1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
SMILESCSc1ccc(NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C13H14N2OS2/c1-18-12-6-4-10(5-7-12)15-13(17)14-9-11-3-2-8-16-11/h2-8H,9H2,1H3,(H2,14,15,17)
InChIKeyAXXAJCRWPPTJIR-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.49
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea

1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea (PubChem CID 8564804) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
PubChem CID8564804
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
SMILESCSc1ccc(NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C13H14N2OS2/c1-18-12-6-4-10(5-7-12)15-13(17)14-9-11-3-2-8-16-11/h2-8H,9H2,1H3,(H2,14,15,17)
InChIKeyAXXAJCRWPPTJIR-UHFFFAOYSA-N
XLogP3.49
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
CID 8628684
3-(furan-2-ylmethyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787213
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
N-[4-(furan-2-ylmethylcarbamothioylamino)phenyl]-N-methylacetamide
CID 19649192
1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
CID 8619132
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(furan-2-ylmethyl)thiourea
CID 6924142
1-(3-cyanophenyl)-3-(furan-2-ylmethyl)thiourea
CID 8614906
1-(3,4-dimethylphenyl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8618168
1-(4-methylsulfanylphenyl)-3-propylthiourea
CID 115573736
1-(4-fluoroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8669178
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea (CID 8564804) is 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea is CSc1ccc(NC(=S)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea?
The InChIKey is AXXAJCRWPPTJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-18-12-6-4-10(5-7-12)15-13(17)14-9-11-3-2-8-16-11/h2-8H,9H2,1H3,(H2,14,15,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea?
1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea has a molecular weight of 278.40 g/mol, XLogP of 3.49, 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-(4-methylsulfanylphenyl)thiourea is sourced from PubChem (CID 8564804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).