3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene

C9H8S4 — CID 86005272

IUPAC3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene
SMILESc1cc(SCSc2ccsc2)cs1
InChIInChI=1S/C9H8S4/c1-3-10-5-8(1)12-7-13-9-2-4-11-6-9/h1-6H,7H2
InChIKeyWTRAVJCVKAASFM-UHFFFAOYSA-N
MW244.43 g/mol
LogP4.65
Rot. Bonds4

About 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene

3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene (PubChem CID 86005272) has the molecular formula C9H8S4 and a molecular weight of 244.43 g/mol. Its IUPAC name is 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene.

Molecular Properties

Compound Name3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene
PubChem CID86005272
Molecular FormulaC9H8S4
Molecular Weight244.43 g/mol
Exact Mass243.95
IUPAC Name3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene
SMILESc1cc(SCSc2ccsc2)cs1
InChIInChI=1S/C9H8S4/c1-3-10-5-8(1)12-7-13-9-2-4-11-6-9/h1-6H,7H2
InChIKeyWTRAVJCVKAASFM-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene?
The IUPAC name of 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene (CID 86005272) is 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene.
What is the SMILES notation for 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene?
The canonical SMILES for 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene is c1cc(SCSc2ccsc2)cs1.
What is the InChIKey of 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene?
The InChIKey is WTRAVJCVKAASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S4/c1-3-10-5-8(1)12-7-13-9-2-4-11-6-9/h1-6H,7H2.
What are the key properties of 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene?
3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene has a molecular weight of 244.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylsulfanylmethylsulfanyl)thiophene is sourced from PubChem (CID 86005272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).