pentamethyl(sulfanyl)-λ6-sulfane

C5H16S2 — CID 89244693

IUPACpentamethyl(sulfanyl)-λ6-sulfane
SMILESCS(C)(C)(C)(C)S
InChIInChI=1S/C5H16S2/c1-7(2,3,4,5)6/h6H,1-5H3
InChIKeyHLUYUICORKTJMI-UHFFFAOYSA-N
MW140.32 g/mol
LogP1.86
Rot. Bonds

About pentamethyl(sulfanyl)-λ6-sulfane

pentamethyl(sulfanyl)-λ6-sulfane (PubChem CID 89244693) has the molecular formula C5H16S2 and a molecular weight of 140.32 g/mol. Its IUPAC name is pentamethyl(sulfanyl)-λ6-sulfane.

Molecular Properties

Compound Namepentamethyl(sulfanyl)-λ6-sulfane
PubChem CID89244693
Molecular FormulaC5H16S2
Molecular Weight140.32 g/mol
Exact Mass140.07
IUPAC Namepentamethyl(sulfanyl)-λ6-sulfane
SMILESCS(C)(C)(C)(C)S
InChIInChI=1S/C5H16S2/c1-7(2,3,4,5)6/h6H,1-5H3
InChIKeyHLUYUICORKTJMI-UHFFFAOYSA-N
XLogP1.86
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 pentamethyl(sulfanyl)-λ6-sulfane?
The IUPAC name of pentamethyl(sulfanyl)-λ6-sulfane (CID 89244693) is pentamethyl(sulfanyl)-λ6-sulfane.
What is the SMILES notation for pentamethyl(sulfanyl)-λ6-sulfane?
The canonical SMILES for pentamethyl(sulfanyl)-λ6-sulfane is CS(C)(C)(C)(C)S.
What is the InChIKey of pentamethyl(sulfanyl)-λ6-sulfane?
The InChIKey is HLUYUICORKTJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16S2/c1-7(2,3,4,5)6/h6H,1-5H3.
What are the key properties of pentamethyl(sulfanyl)-λ6-sulfane?
pentamethyl(sulfanyl)-λ6-sulfane has a molecular weight of 140.32 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentamethyl(sulfanyl)-λ6-sulfane is sourced from PubChem (CID 89244693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).