2,5-bis[bis(ethylsulfanyl)methyl]thiophene

C14H24S5 — CID 15154092

IUPAC2,5-bis[bis(ethylsulfanyl)methyl]thiophene
SMILESCCSC(SCC)c1ccc(C(SCC)SCC)s1
InChIInChI=1S/C14H24S5/c1-5-15-13(16-6-2)11-9-10-12(19-11)14(17-7-3)18-8-4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyQZGIVZNZXUYRKG-UHFFFAOYSA-N
MW352.68 g/mol
LogP6.76
Rot. Bonds10

About 2,5-bis[bis(ethylsulfanyl)methyl]thiophene

2,5-bis[bis(ethylsulfanyl)methyl]thiophene (PubChem CID 15154092) has the molecular formula C14H24S5 and a molecular weight of 352.68 g/mol. Its IUPAC name is 2,5-bis[bis(ethylsulfanyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-bis[bis(ethylsulfanyl)methyl]thiophene
PubChem CID15154092
Molecular FormulaC14H24S5
Molecular Weight352.68 g/mol
Exact Mass352.05
IUPAC Name2,5-bis[bis(ethylsulfanyl)methyl]thiophene
SMILESCCSC(SCC)c1ccc(C(SCC)SCC)s1
InChIInChI=1S/C14H24S5/c1-5-15-13(16-6-2)11-9-10-12(19-11)14(17-7-3)18-8-4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyQZGIVZNZXUYRKG-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[bis(ethylsulfanyl)methyl]thiophene?
The IUPAC name of 2,5-bis[bis(ethylsulfanyl)methyl]thiophene (CID 15154092) is 2,5-bis[bis(ethylsulfanyl)methyl]thiophene.
What is the SMILES notation for 2,5-bis[bis(ethylsulfanyl)methyl]thiophene?
The canonical SMILES for 2,5-bis[bis(ethylsulfanyl)methyl]thiophene is CCSC(SCC)c1ccc(C(SCC)SCC)s1.
What is the InChIKey of 2,5-bis[bis(ethylsulfanyl)methyl]thiophene?
The InChIKey is QZGIVZNZXUYRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S5/c1-5-15-13(16-6-2)11-9-10-12(19-11)14(17-7-3)18-8-4/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 2,5-bis[bis(ethylsulfanyl)methyl]thiophene?
2,5-bis[bis(ethylsulfanyl)methyl]thiophene has a molecular weight of 352.68 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[bis(ethylsulfanyl)methyl]thiophene is sourced from PubChem (CID 15154092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).