(benzyltetrasulfanyl)methylbenzene;ethane

C16H20S4 — CID 143979084

IUPAC(benzyltetrasulfanyl)methylbenzene;ethane
SMILESCC.c1ccc(CSSSSCc2ccccc2)cc1
InChIInChI=1S/C14H14S4.C2H6/c1-3-7-13(8-4-1)11-15-17-18-16-12-14-9-5-2-6-10-14;1-2/h1-10H,11-12H2;1-2H3
InChIKeyDNNLEZJBTAVEBB-UHFFFAOYSA-N
MW340.60 g/mol
LogP7.09
Rot. Bonds7

About (benzyltetrasulfanyl)methylbenzene;ethane

(benzyltetrasulfanyl)methylbenzene;ethane (PubChem CID 143979084) has the molecular formula C16H20S4 and a molecular weight of 340.60 g/mol. Its IUPAC name is (benzyltetrasulfanyl)methylbenzene;ethane.

Molecular Properties

Compound Name(benzyltetrasulfanyl)methylbenzene;ethane
PubChem CID143979084
Molecular FormulaC16H20S4
Molecular Weight340.60 g/mol
Exact Mass340.04
IUPAC Name(benzyltetrasulfanyl)methylbenzene;ethane
SMILESCC.c1ccc(CSSSSCc2ccccc2)cc1
InChIInChI=1S/C14H14S4.C2H6/c1-3-7-13(8-4-1)11-15-17-18-16-12-14-9-5-2-6-10-14;1-2/h1-10H,11-12H2;1-2H3
InChIKeyDNNLEZJBTAVEBB-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (benzyltetrasulfanyl)methylbenzene;ethane?
The IUPAC name of (benzyltetrasulfanyl)methylbenzene;ethane (CID 143979084) is (benzyltetrasulfanyl)methylbenzene;ethane.
What is the SMILES notation for (benzyltetrasulfanyl)methylbenzene;ethane?
The canonical SMILES for (benzyltetrasulfanyl)methylbenzene;ethane is CC.c1ccc(CSSSSCc2ccccc2)cc1.
What is the InChIKey of (benzyltetrasulfanyl)methylbenzene;ethane?
The InChIKey is DNNLEZJBTAVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S4.C2H6/c1-3-7-13(8-4-1)11-15-17-18-16-12-14-9-5-2-6-10-14;1-2/h1-10H,11-12H2;1-2H3.
What are the key properties of (benzyltetrasulfanyl)methylbenzene;ethane?
(benzyltetrasulfanyl)methylbenzene;ethane has a molecular weight of 340.60 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (benzyltetrasulfanyl)methylbenzene;ethane is sourced from PubChem (CID 143979084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).