3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione

C10H6S4 — CID 176884458

IUPAC3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione
SMILESS=C1Cc2cc3c(cc2S1)CC(=S)S3
InChIInChI=1S/C10H6S4/c11-9-3-5-1-7-6(2-8(5)14-9)4-10(12)13-7/h1-2H,3-4H2
InChIKeyONTTXDCVMCRVHF-UHFFFAOYSA-N
MW254.43 g/mol
LogP3.64
Rot. Bonds

About 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione

3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione (PubChem CID 176884458) has the molecular formula C10H6S4 and a molecular weight of 254.43 g/mol. Its IUPAC name is 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione.

Molecular Properties

Compound Name3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione
PubChem CID176884458
Molecular FormulaC10H6S4
Molecular Weight254.43 g/mol
Exact Mass253.94
IUPAC Name3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione
SMILESS=C1Cc2cc3c(cc2S1)CC(=S)S3
InChIInChI=1S/C10H6S4/c11-9-3-5-1-7-6(2-8(5)14-9)4-10(12)13-7/h1-2H,3-4H2
InChIKeyONTTXDCVMCRVHF-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione?
The IUPAC name of 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione (CID 176884458) is 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione.
What is the SMILES notation for 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione?
The canonical SMILES for 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione is S=C1Cc2cc3c(cc2S1)CC(=S)S3.
What is the InChIKey of 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione?
The InChIKey is ONTTXDCVMCRVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S4/c11-9-3-5-1-7-6(2-8(5)14-9)4-10(12)13-7/h1-2H,3-4H2.
What are the key properties of 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione?
3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione has a molecular weight of 254.43 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydrothieno[2,3-f][1]benzothiole-2,6-dithione is sourced from PubChem (CID 176884458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).