5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile

C8H6N2S2 — CID 53275043

IUPAC5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1cc2c([nH]c1=S)CCS2
InChIInChI=1S/C8H6N2S2/c9-4-5-3-7-6(1-2-12-7)10-8(5)11/h3H,1-2H2,(H,10,11)
InChIKeyDDJUGKLERXXEMY-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds

About 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile

5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 53275043) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile
PubChem CID53275043
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1cc2c([nH]c1=S)CCS2
InChIInChI=1S/C8H6N2S2/c9-4-5-3-7-6(1-2-12-7)10-8(5)11/h3H,1-2H2,(H,10,11)
InChIKeyDDJUGKLERXXEMY-UHFFFAOYSA-N
XLogP2.26
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile (CID 53275043) is 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile is N#Cc1cc2c([nH]c1=S)CCS2.
What is the InChIKey of 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is DDJUGKLERXXEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c9-4-5-3-7-6(1-2-12-7)10-8(5)11/h3H,1-2H2,(H,10,11).
What are the key properties of 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile?
5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylidene-3,4-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 53275043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).