4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione

C8H7FN2S2 — CID 146497712

IUPAC4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione
SMILESCNn1cc(F)c2ccsc2c1=S
InChIInChI=1S/C8H7FN2S2/c1-10-11-4-6(9)5-2-3-13-7(5)8(11)12/h2-4,10H,1H3
InChIKeyBYWGQOWUSRMGQQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.74
Rot. Bonds1

About 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione

4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione (PubChem CID 146497712) has the molecular formula C8H7FN2S2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione
PubChem CID146497712
Molecular FormulaC8H7FN2S2
Molecular Weight214.29 g/mol
Exact Mass214.00
IUPAC Name4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione
SMILESCNn1cc(F)c2ccsc2c1=S
InChIInChI=1S/C8H7FN2S2/c1-10-11-4-6(9)5-2-3-13-7(5)8(11)12/h2-4,10H,1H3
InChIKeyBYWGQOWUSRMGQQ-UHFFFAOYSA-N
XLogP2.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione?
The IUPAC name of 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione (CID 146497712) is 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione is CNn1cc(F)c2ccsc2c1=S.
What is the InChIKey of 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione?
The InChIKey is BYWGQOWUSRMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S2/c1-10-11-4-6(9)5-2-3-13-7(5)8(11)12/h2-4,10H,1H3.
What are the key properties of 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione?
4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione has a molecular weight of 214.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(methylamino)thieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 146497712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).