6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione

C8H9NS2 — CID 87430225

IUPAC6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
SMILESC=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C8H9NS2/c1-5-4-7-6(2-3-11-7)8(10)9-5/h4,6H,1-3H2,(H,9,10)
InChIKeySVVACVVTWUEKOR-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.07
Rot. Bonds

About 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione

6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione (PubChem CID 87430225) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione.

Molecular Properties

Compound Name6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
PubChem CID87430225
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
SMILESC=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C8H9NS2/c1-5-4-7-6(2-3-11-7)8(10)9-5/h4,6H,1-3H2,(H,9,10)
InChIKeySVVACVVTWUEKOR-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
The IUPAC name of 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione (CID 87430225) is 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione.
What is the SMILES notation for 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
The canonical SMILES for 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione is C=C1C=C2SCCC2C(=S)N1.
What is the InChIKey of 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
The InChIKey is SVVACVVTWUEKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c1-5-4-7-6(2-3-11-7)8(10)9-5/h4,6H,1-3H2,(H,9,10).
What are the key properties of 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione has a molecular weight of 183.30 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione is sourced from PubChem (CID 87430225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).