3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane

C16H34S4 — CID 163192250

IUPAC3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane
SMILESCCCSC(CC)CCSSCCC(CC)SCCC
InChIInChI=1S/C16H34S4/c1-5-11-17-15(7-3)9-13-19-20-14-10-16(8-4)18-12-6-2/h15-16H,5-14H2,1-4H3
InChIKeyAKIHQELRFPHRPZ-UHFFFAOYSA-N
MW354.72 g/mol
LogP6.99
Rot. Bonds15

About 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane

3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane (PubChem CID 163192250) has the molecular formula C16H34S4 and a molecular weight of 354.72 g/mol. Its IUPAC name is 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane.

Molecular Properties

Compound Name3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane
PubChem CID163192250
Molecular FormulaC16H34S4
Molecular Weight354.72 g/mol
Exact Mass354.15
IUPAC Name3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane
SMILESCCCSC(CC)CCSSCCC(CC)SCCC
InChIInChI=1S/C16H34S4/c1-5-11-17-15(7-3)9-13-19-20-14-10-16(8-4)18-12-6-2/h15-16H,5-14H2,1-4H3
InChIKeyAKIHQELRFPHRPZ-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.72
LogP ≤ 56.99
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

13,16-Dithiaoctacosane
CID 24875
11,14-Dithiatetracosane
CID 43486
1,4,8,11,15,18,22,25-Octathiacyclooctacosane
CID 373842
11,16-Dithiahexacosane
CID 44467
15,18-Dithiadotriacontane
CID 52850
11,17-Dithiaheptacosane
CID 52851
1,6,11,16-Tetrathiacycloicosane
CID 373839
11,15-Dithiapentacosane
CID 29043
2-Methylsulfanyl-1-(2-methylsulfanylpentyldisulfanyl)pentane
CID 163192316
2-Ethylsulfanyl-1-(2-ethylsulfanylbutyldisulfanyl)butane
CID 163192583
3-Propylsulfanyl-1-(3-propylsulfanylbutyldisulfanyl)butane
CID 163195821
1-Ethylsulfanyl-1-(1-ethylsulfanylhexyldisulfanyl)hexane
CID 163195823

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane?
The IUPAC name of 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane (CID 163192250) is 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane.
What is the SMILES notation for 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane?
The canonical SMILES for 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane is CCCSC(CC)CCSSCCC(CC)SCCC.
What is the InChIKey of 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane?
The InChIKey is AKIHQELRFPHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34S4/c1-5-11-17-15(7-3)9-13-19-20-14-10-16(8-4)18-12-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane?
3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane has a molecular weight of 354.72 g/mol, XLogP of 6.99, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfanyl-1-(3-propylsulfanylpentyldisulfanyl)pentane is sourced from PubChem (CID 163192250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).