1,3-bis(trisulfanyl)benzene

C6H6S6 — CID 155237291

IUPAC1,3-bis(trisulfanyl)benzene
SMILESSSSc1cccc(SSS)c1
InChIInChI=1S/C6H6S6/c7-11-9-5-2-1-3-6(4-5)10-12-8/h1-4,7-8H
InChIKeyDFVUELNAIVZHFB-UHFFFAOYSA-N
MW270.52 g/mol
LogP4.86
Rot. Bonds4

About 1,3-bis(trisulfanyl)benzene

1,3-bis(trisulfanyl)benzene (PubChem CID 155237291) has the molecular formula C6H6S6 and a molecular weight of 270.52 g/mol. Its IUPAC name is 1,3-bis(trisulfanyl)benzene.

Molecular Properties

Compound Name1,3-bis(trisulfanyl)benzene
PubChem CID155237291
Molecular FormulaC6H6S6
Molecular Weight270.52 g/mol
Exact Mass269.88
IUPAC Name1,3-bis(trisulfanyl)benzene
SMILESSSSc1cccc(SSS)c1
InChIInChI=1S/C6H6S6/c7-11-9-5-2-1-3-6(4-5)10-12-8/h1-4,7-8H
InChIKeyDFVUELNAIVZHFB-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trisulfanyl)benzene?
The IUPAC name of 1,3-bis(trisulfanyl)benzene (CID 155237291) is 1,3-bis(trisulfanyl)benzene.
What is the SMILES notation for 1,3-bis(trisulfanyl)benzene?
The canonical SMILES for 1,3-bis(trisulfanyl)benzene is SSSc1cccc(SSS)c1.
What is the InChIKey of 1,3-bis(trisulfanyl)benzene?
The InChIKey is DFVUELNAIVZHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S6/c7-11-9-5-2-1-3-6(4-5)10-12-8/h1-4,7-8H.
What are the key properties of 1,3-bis(trisulfanyl)benzene?
1,3-bis(trisulfanyl)benzene has a molecular weight of 270.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trisulfanyl)benzene is sourced from PubChem (CID 155237291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).