1-(butyltetrasulfanyl)butane

C8H18S4 — CID 12815109

IUPAC1-(butyltetrasulfanyl)butane
SMILESCCCCSSSSCCCC
InChIInChI=1S/C8H18S4/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H2,1-2H3
InChIKeyPTYXPKUPXPWHSH-UHFFFAOYSA-N
MW242.50 g/mol
LogP5.26
Rot. Bonds9

About 1-(butyltetrasulfanyl)butane

1-(butyltetrasulfanyl)butane (PubChem CID 12815109) has the molecular formula C8H18S4 and a molecular weight of 242.50 g/mol. Its IUPAC name is 1-(butyltetrasulfanyl)butane.

Molecular Properties

Compound Name1-(butyltetrasulfanyl)butane
PubChem CID12815109
Molecular FormulaC8H18S4
Molecular Weight242.50 g/mol
Exact Mass242.03
IUPAC Name1-(butyltetrasulfanyl)butane
SMILESCCCCSSSSCCCC
InChIInChI=1S/C8H18S4/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H2,1-2H3
InChIKeyPTYXPKUPXPWHSH-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Merphos
CID 9011
Butyl disulfide
CID 12386
Di-sec-butyl disulfide
CID 94314
Dipropyl tetrasulfide
CID 104285
Trisulfide, dibutyl
CID 12481804
Butyl propyl disulfide
CID 522458
Methyl propyl tetrasulphide
CID 528709
Isopropyl n-butyl disulphide
CID 525403
Disulfide, bis(2-methylpropyl)
CID 80284
Dihexyl disulfide
CID 82675
Dipentyl disulfide
CID 8191
Disulfide, 1-methylpropyl propyl
CID 521902

Frequently Asked Questions

What is the IUPAC name of 1-(butyltetrasulfanyl)butane?
The IUPAC name of 1-(butyltetrasulfanyl)butane (CID 12815109) is 1-(butyltetrasulfanyl)butane.
What is the SMILES notation for 1-(butyltetrasulfanyl)butane?
The canonical SMILES for 1-(butyltetrasulfanyl)butane is CCCCSSSSCCCC.
What is the InChIKey of 1-(butyltetrasulfanyl)butane?
The InChIKey is PTYXPKUPXPWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S4/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-(butyltetrasulfanyl)butane?
1-(butyltetrasulfanyl)butane has a molecular weight of 242.50 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butyltetrasulfanyl)butane is sourced from PubChem (CID 12815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).