disulfanyl(pentamethyl)-λ6-sulfane

C5H16S3 — CID 89105287

IUPACdisulfanyl(pentamethyl)-λ6-sulfane
SMILESCS(C)(C)(C)(C)SS
InChIInChI=1S/C5H16S3/c1-8(2,3,4,5)7-6/h6H,1-5H3
InChIKeyGFRFHXMIPPOAIS-UHFFFAOYSA-N
MW172.38 g/mol
LogP2.50
Rot. Bonds1

About disulfanyl(pentamethyl)-λ6-sulfane

disulfanyl(pentamethyl)-λ6-sulfane (PubChem CID 89105287) has the molecular formula C5H16S3 and a molecular weight of 172.38 g/mol. Its IUPAC name is disulfanyl(pentamethyl)-λ6-sulfane.

Molecular Properties

Compound Namedisulfanyl(pentamethyl)-λ6-sulfane
PubChem CID89105287
Molecular FormulaC5H16S3
Molecular Weight172.38 g/mol
Exact Mass172.04
IUPAC Namedisulfanyl(pentamethyl)-λ6-sulfane
SMILESCS(C)(C)(C)(C)SS
InChIInChI=1S/C5H16S3/c1-8(2,3,4,5)7-6/h6H,1-5H3
InChIKeyGFRFHXMIPPOAIS-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 disulfanyl(pentamethyl)-λ6-sulfane?
The IUPAC name of disulfanyl(pentamethyl)-λ6-sulfane (CID 89105287) is disulfanyl(pentamethyl)-λ6-sulfane.
What is the SMILES notation for disulfanyl(pentamethyl)-λ6-sulfane?
The canonical SMILES for disulfanyl(pentamethyl)-λ6-sulfane is CS(C)(C)(C)(C)SS.
What is the InChIKey of disulfanyl(pentamethyl)-λ6-sulfane?
The InChIKey is GFRFHXMIPPOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16S3/c1-8(2,3,4,5)7-6/h6H,1-5H3.
What are the key properties of disulfanyl(pentamethyl)-λ6-sulfane?
disulfanyl(pentamethyl)-λ6-sulfane has a molecular weight of 172.38 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanyl(pentamethyl)-λ6-sulfane is sourced from PubChem (CID 89105287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).