6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione

C9H9FN2S2 — CID 147429568

IUPAC6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione
SMILESCN(C)n1cc(F)c2ccsc2c1=S
InChIInChI=1S/C9H9FN2S2/c1-11(2)12-5-7(10)6-3-4-14-8(6)9(12)13/h3-5H,1-2H3
InChIKeyDUBHLWBGSRXVNP-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.77
Rot. Bonds1

About 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione

6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione (PubChem CID 147429568) has the molecular formula C9H9FN2S2 and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione
PubChem CID147429568
Molecular FormulaC9H9FN2S2
Molecular Weight228.32 g/mol
Exact Mass228.02
IUPAC Name6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione
SMILESCN(C)n1cc(F)c2ccsc2c1=S
InChIInChI=1S/C9H9FN2S2/c1-11(2)12-5-7(10)6-3-4-14-8(6)9(12)13/h3-5H,1-2H3
InChIKeyDUBHLWBGSRXVNP-UHFFFAOYSA-N
XLogP2.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
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 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione?
The IUPAC name of 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione (CID 147429568) is 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione is CN(C)n1cc(F)c2ccsc2c1=S.
What is the InChIKey of 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione?
The InChIKey is DUBHLWBGSRXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S2/c1-11(2)12-5-7(10)6-3-4-14-8(6)9(12)13/h3-5H,1-2H3.
What are the key properties of 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione?
6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione has a molecular weight of 228.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-fluorothieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 147429568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).