[5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione

C15H13Cl2NO2S — CID 947873

IUPAC[5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO2S/c16-11-2-1-10(9-12(11)17)13-3-4-14(20-13)15(21)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyWOHXXLNZHJZIFM-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.26
Rot. Bonds2

About [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione

[5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione (PubChem CID 947873) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
PubChem CID947873
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name[5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO2S/c16-11-2-1-10(9-12(11)17)13-3-4-14(20-13)15(21)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyWOHXXLNZHJZIFM-UHFFFAOYSA-N
XLogP4.26
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_amide_A(6)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
The IUPAC name of [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione (CID 947873) is [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
The canonical SMILES for [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione is S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1.
What is the InChIKey of [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
The InChIKey is WOHXXLNZHJZIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-11-2-1-10(9-12(11)17)13-3-4-14(20-13)15(21)18-5-7-19-8-6-18/h1-4,9H,5-8H2.
What are the key properties of [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
[5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione has a molecular weight of 342.25 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 947873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).