5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C7H6INS3 — CID 129095718

IUPAC5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1I
InChIInChI=1S/C7H6INS3/c8-9-6(10)3-5-4(7(9)11)1-2-12-5/h3-4H,1-2H2
InChIKeyBZMNXZFDVPJPPP-UHFFFAOYSA-N
MW327.24 g/mol
LogP2.94
Rot. Bonds

About 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 129095718) has the molecular formula C7H6INS3 and a molecular weight of 327.24 g/mol. Its IUPAC name is 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID129095718
Molecular FormulaC7H6INS3
Molecular Weight327.24 g/mol
Exact Mass326.87
IUPAC Name5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1I
InChIInChI=1S/C7H6INS3/c8-9-6(10)3-5-4(7(9)11)1-2-12-5/h3-4H,1-2H2
InChIKeyBZMNXZFDVPJPPP-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 129095718) is 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCCC2C(=S)N1I.
What is the InChIKey of 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is BZMNXZFDVPJPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INS3/c8-9-6(10)3-5-4(7(9)11)1-2-12-5/h3-4H,1-2H2.
What are the key properties of 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 327.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 129095718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).