4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione

C10H10FNS2 — CID 164967438

IUPAC4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione
SMILESCCCn1cc(F)c2ccsc2c1=S
InChIInChI=1S/C10H10FNS2/c1-2-4-12-6-8(11)7-3-5-14-9(7)10(12)13/h3,5-6H,2,4H2,1H3
InChIKeyCQYGBKXSXCXQCR-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.98
Rot. Bonds2

About 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione

4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione (PubChem CID 164967438) has the molecular formula C10H10FNS2 and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione
PubChem CID164967438
Molecular FormulaC10H10FNS2
Molecular Weight227.33 g/mol
Exact Mass227.02
IUPAC Name4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione
SMILESCCCn1cc(F)c2ccsc2c1=S
InChIInChI=1S/C10H10FNS2/c1-2-4-12-6-8(11)7-3-5-14-9(7)10(12)13/h3,5-6H,2,4H2,1H3
InChIKeyCQYGBKXSXCXQCR-UHFFFAOYSA-N
XLogP3.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.98
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-propylthieno[2,3-c]pyridine-7-thione?
The IUPAC name of 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione (CID 164967438) is 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione is CCCn1cc(F)c2ccsc2c1=S.
What is the InChIKey of 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione?
The InChIKey is CQYGBKXSXCXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS2/c1-2-4-12-6-8(11)7-3-5-14-9(7)10(12)13/h3,5-6H,2,4H2,1H3.
What are the key properties of 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione?
4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione has a molecular weight of 227.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-propylthieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 164967438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).