trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane

C10H26S2 — CID 135234709

IUPACtrimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane
SMILESCS(C)(C)CCCCS(C)(C)C
InChIInChI=1S/C10H26S2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3
InChIKeyMRGWBIYHFWLGCK-UHFFFAOYSA-N
MW210.45 g/mol
LogP3.15
Rot. Bonds5

About trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane

trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane (PubChem CID 135234709) has the molecular formula C10H26S2 and a molecular weight of 210.45 g/mol. Its IUPAC name is trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane
PubChem CID135234709
Molecular FormulaC10H26S2
Molecular Weight210.45 g/mol
Exact Mass210.15
IUPAC Nametrimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane
SMILESCS(C)(C)CCCCS(C)(C)C
InChIInChI=1S/C10H26S2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3
InChIKeyMRGWBIYHFWLGCK-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane?
The IUPAC name of trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane (CID 135234709) is trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane is CS(C)(C)CCCCS(C)(C)C.
What is the InChIKey of trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane?
The InChIKey is MRGWBIYHFWLGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26S2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3.
What are the key properties of trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane?
trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane has a molecular weight of 210.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane is sourced from PubChem (CID 135234709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).