1-pentylsulfanylpentane

C10H22S — CID 13382

IUPAC1-pentylsulfanylpentane
SMILESCCCCCSCCCCC
InChIInChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyJOZDADPMWLVEJK-UHFFFAOYSA-N
MW174.35 g/mol
LogP4.10
Rot. Bonds8

About 1-pentylsulfanylpentane

1-pentylsulfanylpentane (PubChem CID 13382) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 1-pentylsulfanylpentane.

Molecular Properties

Compound Name1-pentylsulfanylpentane
PubChem CID13382
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name1-pentylsulfanylpentane
SMILESCCCCCSCCCCC
InChIInChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyJOZDADPMWLVEJK-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentylsulfanylpentane?
The IUPAC name of 1-pentylsulfanylpentane (CID 13382) is 1-pentylsulfanylpentane.
What is the SMILES notation for 1-pentylsulfanylpentane?
The canonical SMILES for 1-pentylsulfanylpentane is CCCCCSCCCCC.
What is the InChIKey of 1-pentylsulfanylpentane?
The InChIKey is JOZDADPMWLVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-pentylsulfanylpentane?
1-pentylsulfanylpentane has a molecular weight of 174.35 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylsulfanylpentane is sourced from PubChem (CID 13382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).