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

C12H14FNS2 — CID 146276515

IUPAC4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione
SMILESCCC(C)(C)n1cc(F)c2ccsc2c1=S
InChIInChI=1S/C12H14FNS2/c1-4-12(2,3)14-7-9(13)8-5-6-16-10(8)11(14)15/h5-7H,4H2,1-3H3
InChIKeyRAELZWYQHVYFIL-UHFFFAOYSA-N
MW255.38 g/mol
LogP4.72
Rot. Bonds2

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

4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione (PubChem CID 146276515) has the molecular formula C12H14FNS2 and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione
PubChem CID146276515
Molecular FormulaC12H14FNS2
Molecular Weight255.38 g/mol
Exact Mass255.06
IUPAC Name4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione
SMILESCCC(C)(C)n1cc(F)c2ccsc2c1=S
InChIInChI=1S/C12H14FNS2/c1-4-12(2,3)14-7-9(13)8-5-6-16-10(8)11(14)15/h5-7H,4H2,1-3H3
InChIKeyRAELZWYQHVYFIL-UHFFFAOYSA-N
XLogP4.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
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 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione?
The IUPAC name of 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione (CID 146276515) is 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione is CCC(C)(C)n1cc(F)c2ccsc2c1=S.
What is the InChIKey of 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione?
The InChIKey is RAELZWYQHVYFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS2/c1-4-12(2,3)14-7-9(13)8-5-6-16-10(8)11(14)15/h5-7H,4H2,1-3H3.
What are the key properties of 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione?
4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione has a molecular weight of 255.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylbutan-2-yl)thieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 146276515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).