[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite

C7H6INS4 — CID 165116329

IUPAC[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite
SMILESS=C1C=C2SCCC2C(=S)N1SI
InChIInChI=1S/C7H6INS4/c8-13-9-6(10)3-5-4(7(9)11)1-2-12-5/h3-4H,1-2H2
InChIKeyLWSBFYJKCDHKNB-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.59
Rot. Bonds1

About [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite

[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite (PubChem CID 165116329) has the molecular formula C7H6INS4 and a molecular weight of 359.30 g/mol. Its IUPAC name is [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite.

Molecular Properties

Compound Name[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite
PubChem CID165116329
Molecular FormulaC7H6INS4
Molecular Weight359.30 g/mol
Exact Mass358.84
IUPAC Name[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite
SMILESS=C1C=C2SCCC2C(=S)N1SI
InChIInChI=1S/C7H6INS4/c8-13-9-6(10)3-5-4(7(9)11)1-2-12-5/h3-4H,1-2H2
InChIKeyLWSBFYJKCDHKNB-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite?
The IUPAC name of [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite (CID 165116329) is [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite.
What is the SMILES notation for [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite?
The canonical SMILES for [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite is S=C1C=C2SCCC2C(=S)N1SI.
What is the InChIKey of [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite?
The InChIKey is LWSBFYJKCDHKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INS4/c8-13-9-6(10)3-5-4(7(9)11)1-2-12-5/h3-4H,1-2H2.
What are the key properties of [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite?
[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite has a molecular weight of 359.30 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite is sourced from PubChem (CID 165116329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).