1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene

C11H15ClS4 — CID 11141449

IUPAC1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene
SMILESCCCCSSSSCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClS4/c1-2-3-8-13-15-16-14-9-10-4-6-11(12)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyHWOYBNZVNMERKB-UHFFFAOYSA-N
MW310.96 g/mol
LogP6.32
Rot. Bonds8

About 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene

1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene (PubChem CID 11141449) has the molecular formula C11H15ClS4 and a molecular weight of 310.96 g/mol. Its IUPAC name is 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene
PubChem CID11141449
Molecular FormulaC11H15ClS4
Molecular Weight310.96 g/mol
Exact Mass309.97
IUPAC Name1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene
SMILESCCCCSSSSCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClS4/c1-2-3-8-13-15-16-14-9-10-4-6-11(12)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyHWOYBNZVNMERKB-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.96
LogP ≤ 56.32
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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Frequently Asked Questions

What is the IUPAC name of 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene?
The IUPAC name of 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene (CID 11141449) is 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene?
The canonical SMILES for 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene is CCCCSSSSCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene?
The InChIKey is HWOYBNZVNMERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS4/c1-2-3-8-13-15-16-14-9-10-4-6-11(12)7-5-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene?
1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene has a molecular weight of 310.96 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(butyltetrasulfanyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 11141449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).