ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane

C2H2S19 — CID 130445167

IUPACethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
SMILESC#CS(=S)(=S)SSSSSSSSSSSSSSSS
InChIInChI=1S/C2H2S19/c1-2-21(4,5)20-19-18-17-16-15-14-13-12-11-10-9-8-7-6-3/h1,3H
InChIKeyQWQJRBHIUAWATL-UHFFFAOYSA-N
MW635.31 g/mol
LogP10.22
Rot. Bonds15

About ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane

ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane (PubChem CID 130445167) has the molecular formula C2H2S19 and a molecular weight of 635.31 g/mol. Its IUPAC name is ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Nameethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
PubChem CID130445167
Molecular FormulaC2H2S19
Molecular Weight635.31 g/mol
Exact Mass633.48
IUPAC Nameethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
SMILESC#CS(=S)(=S)SSSSSSSSSSSSSSSS
InChIInChI=1S/C2H2S19/c1-2-21(4,5)20-19-18-17-16-15-14-13-12-11-10-9-8-7-6-3/h1,3H
InChIKeyQWQJRBHIUAWATL-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500635.31
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane (CID 130445167) is ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane is C#CS(=S)(=S)SSSSSSSSSSSSSSSS.
What is the InChIKey of ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is QWQJRBHIUAWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2S19/c1-2-21(4,5)20-19-18-17-16-15-14-13-12-11-10-9-8-7-6-3/h1,3H.
What are the key properties of ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 635.31 g/mol, XLogP of 10.22, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 130445167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).