6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol

C11H14FNS2 — CID 155177357

IUPAC6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol
SMILESCC(C)(C)N1C=C(F)c2ccsc2C1S
InChIInChI=1S/C11H14FNS2/c1-11(2,3)13-6-8(12)7-4-5-15-9(7)10(13)14/h4-6,10,14H,1-3H3
InChIKeyFBJOWVOAKDTDKI-UHFFFAOYSA-N
MW243.37 g/mol
LogP4.06
Rot. Bonds

About 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol

6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol (PubChem CID 155177357) has the molecular formula C11H14FNS2 and a molecular weight of 243.37 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol
PubChem CID155177357
Molecular FormulaC11H14FNS2
Molecular Weight243.37 g/mol
Exact Mass243.06
IUPAC Name6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol
SMILESCC(C)(C)N1C=C(F)c2ccsc2C1S
InChIInChI=1S/C11H14FNS2/c1-11(2,3)13-6-8(12)7-4-5-15-9(7)10(13)14/h4-6,10,14H,1-3H3
InChIKeyFBJOWVOAKDTDKI-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol?
The IUPAC name of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol (CID 155177357) is 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol.
What is the SMILES notation for 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol?
The canonical SMILES for 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol is CC(C)(C)N1C=C(F)c2ccsc2C1S.
What is the InChIKey of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol?
The InChIKey is FBJOWVOAKDTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS2/c1-11(2,3)13-6-8(12)7-4-5-15-9(7)10(13)14/h4-6,10,14H,1-3H3.
What are the key properties of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol?
6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol has a molecular weight of 243.37 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine-7-thiol is sourced from PubChem (CID 155177357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).