furan-3-carbothioamide

C5H5NOS — CID 2779671

IUPACfuran-3-carbothioamide
SMILESNC(=S)c1ccoc1
InChIInChI=1S/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8)
InChIKeyFHPWEMZQNZDEMS-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.91
Rot. Bonds1

About furan-3-carbothioamide

furan-3-carbothioamide (PubChem CID 2779671) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is furan-3-carbothioamide.

Molecular Properties

Compound Namefuran-3-carbothioamide
PubChem CID2779671
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Namefuran-3-carbothioamide
SMILESNC(=S)c1ccoc1
InChIInChI=1S/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8)
InChIKeyFHPWEMZQNZDEMS-UHFFFAOYSA-N
XLogP0.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 furan-3-carbothioamide?
The IUPAC name of furan-3-carbothioamide (CID 2779671) is furan-3-carbothioamide.
What is the SMILES notation for furan-3-carbothioamide?
The canonical SMILES for furan-3-carbothioamide is NC(=S)c1ccoc1.
What is the InChIKey of furan-3-carbothioamide?
The InChIKey is FHPWEMZQNZDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8).
What are the key properties of furan-3-carbothioamide?
furan-3-carbothioamide has a molecular weight of 127.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbothioamide is sourced from PubChem (CID 2779671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).