3-(difluoromethoxy)thiophene-2-carbothioamide

C6H5F2NOS2 — CID 178133599

IUPAC3-(difluoromethoxy)thiophene-2-carbothioamide
SMILESNC(=S)c1sccc1OC(F)F
InChIInChI=1S/C6H5F2NOS2/c7-6(8)10-3-1-2-12-4(3)5(9)11/h1-2,6H,(H2,9,11)
InChIKeyFYUGQTWKSRTFSR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.98
Rot. Bonds3

About 3-(difluoromethoxy)thiophene-2-carbothioamide

3-(difluoromethoxy)thiophene-2-carbothioamide (PubChem CID 178133599) has the molecular formula C6H5F2NOS2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)thiophene-2-carbothioamide.

Molecular Properties

Compound Name3-(difluoromethoxy)thiophene-2-carbothioamide
PubChem CID178133599
Molecular FormulaC6H5F2NOS2
Molecular Weight209.24 g/mol
Exact Mass208.98
IUPAC Name3-(difluoromethoxy)thiophene-2-carbothioamide
SMILESNC(=S)c1sccc1OC(F)F
InChIInChI=1S/C6H5F2NOS2/c7-6(8)10-3-1-2-12-4(3)5(9)11/h1-2,6H,(H2,9,11)
InChIKeyFYUGQTWKSRTFSR-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 3-(difluoromethoxy)thiophene-2-carbothioamide?
The IUPAC name of 3-(difluoromethoxy)thiophene-2-carbothioamide (CID 178133599) is 3-(difluoromethoxy)thiophene-2-carbothioamide.
What is the SMILES notation for 3-(difluoromethoxy)thiophene-2-carbothioamide?
The canonical SMILES for 3-(difluoromethoxy)thiophene-2-carbothioamide is NC(=S)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)thiophene-2-carbothioamide?
The InChIKey is FYUGQTWKSRTFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NOS2/c7-6(8)10-3-1-2-12-4(3)5(9)11/h1-2,6H,(H2,9,11).
What are the key properties of 3-(difluoromethoxy)thiophene-2-carbothioamide?
3-(difluoromethoxy)thiophene-2-carbothioamide has a molecular weight of 209.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)thiophene-2-carbothioamide is sourced from PubChem (CID 178133599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).