butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane

C14H32S4 — CID 141020664

IUPACbutylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane
SMILESCCCCCS(SCC)(SCCC)SCCCC
InChIInChI=1S/C14H32S4/c1-5-9-11-14-18(15-8-4,16-12-7-3)17-13-10-6-2/h5-14H2,1-4H3
InChIKeyFHZXHYCZMAATJY-UHFFFAOYSA-N
MW328.68 g/mol
LogP7.16
Rot. Bonds13

About butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane

butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane (PubChem CID 141020664) has the molecular formula C14H32S4 and a molecular weight of 328.68 g/mol. Its IUPAC name is butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane.

Molecular Properties

Compound Namebutylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane
PubChem CID141020664
Molecular FormulaC14H32S4
Molecular Weight328.68 g/mol
Exact Mass328.14
IUPAC Namebutylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane
SMILESCCCCCS(SCC)(SCCC)SCCCC
InChIInChI=1S/C14H32S4/c1-5-9-11-14-18(15-8-4,16-12-7-3)17-13-10-6-2/h5-14H2,1-4H3
InChIKeyFHZXHYCZMAATJY-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.68
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentylsulfanylsulfonylhexane
CID 89211517
1-hexylsulfonylsulfanylhexane
CID 13183990
oxido(pentylsulfonyl)azanium
CID 141093867
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
trihexyl(methyl)-λ4-sulfane
CID 138739733
undecane chloride
CID 19736895
hexane;titanium(3+);trichloride
CID 163599635
carbanide;hexane;tetrakis(yttrium)
CID 161096605
1-sulfosulfanyldodecane
CID 10357698
octane;sulfanediol
CID 158810031
heptyl(trimethyl)-λ4-sulfane
CID 155014090

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane?
The IUPAC name of butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane (CID 141020664) is butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane.
What is the SMILES notation for butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane?
The canonical SMILES for butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane is CCCCCS(SCC)(SCCC)SCCCC.
What is the InChIKey of butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane?
The InChIKey is FHZXHYCZMAATJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32S4/c1-5-9-11-14-18(15-8-4,16-12-7-3)17-13-10-6-2/h5-14H2,1-4H3.
What are the key properties of butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane?
butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane has a molecular weight of 328.68 g/mol, XLogP of 7.16, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane is sourced from PubChem (CID 141020664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).