dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione

C2H2S28 — CID 155673845

IUPACdodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione
SMILESS=C(SSSSSSSSSSSS)SSC(=S)SSSSSSSSSSSS
InChIInChI=1S/C2H2S28/c3-1(9-13-17-21-25-29-27-23-19-15-11-5)7-8-2(4)10-14-18-22-26-30-28-24-20-16-12-6/h5-6H
InChIKeyFSUOYOIKFNLMRZ-UHFFFAOYSA-N
MW923.91 g/mol
LogP17.06
Rot. Bonds20

About dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione

dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione (PubChem CID 155673845) has the molecular formula C2H2S28 and a molecular weight of 923.91 g/mol. Its IUPAC name is dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione.

Molecular Properties

Compound Namedodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione
PubChem CID155673845
Molecular FormulaC2H2S28
Molecular Weight923.91 g/mol
Exact Mass921.23
IUPAC Namedodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione
SMILESS=C(SSSSSSSSSSSS)SSC(=S)SSSSSSSSSSSS
InChIInChI=1S/C2H2S28/c3-1(9-13-17-21-25-29-27-23-19-15-11-5)7-8-2(4)10-14-18-22-26-30-28-24-20-16-12-6/h5-6H
InChIKeyFSUOYOIKFNLMRZ-UHFFFAOYSA-N
XLogP17.06
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.91
LogP ≤ 517.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione?
The IUPAC name of dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione (CID 155673845) is dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione.
What is the SMILES notation for dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione?
The canonical SMILES for dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione is S=C(SSSSSSSSSSSS)SSC(=S)SSSSSSSSSSSS.
What is the InChIKey of dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione?
The InChIKey is FSUOYOIKFNLMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2S28/c3-1(9-13-17-21-25-29-27-23-19-15-11-5)7-8-2(4)10-14-18-22-26-30-28-24-20-16-12-6/h5-6H.
What are the key properties of dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione?
dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione has a molecular weight of 923.91 g/mol, XLogP of 17.06, 20 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione is sourced from PubChem (CID 155673845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).