1-(3-methylbutan-2-ylsulfanyl)pentane

C10H22S — CID 525365

IUPAC1-(3-methylbutan-2-ylsulfanyl)pentane
SMILESCCCCCSC(C)C(C)C
InChIInChI=1S/C10H22S/c1-5-6-7-8-11-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeySLWLCOPCNCAVOJ-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.95
Rot. Bonds6

About 1-(3-methylbutan-2-ylsulfanyl)pentane

1-(3-methylbutan-2-ylsulfanyl)pentane (PubChem CID 525365) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 1-(3-methylbutan-2-ylsulfanyl)pentane.

Molecular Properties

Compound Name1-(3-methylbutan-2-ylsulfanyl)pentane
PubChem CID525365
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name1-(3-methylbutan-2-ylsulfanyl)pentane
SMILESCCCCCSC(C)C(C)C
InChIInChI=1S/C10H22S/c1-5-6-7-8-11-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeySLWLCOPCNCAVOJ-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.95
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-(3-methylbutan-2-ylsulfanyl)pentane?
The IUPAC name of 1-(3-methylbutan-2-ylsulfanyl)pentane (CID 525365) is 1-(3-methylbutan-2-ylsulfanyl)pentane.
What is the SMILES notation for 1-(3-methylbutan-2-ylsulfanyl)pentane?
The canonical SMILES for 1-(3-methylbutan-2-ylsulfanyl)pentane is CCCCCSC(C)C(C)C.
What is the InChIKey of 1-(3-methylbutan-2-ylsulfanyl)pentane?
The InChIKey is SLWLCOPCNCAVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-5-6-7-8-11-10(4)9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(3-methylbutan-2-ylsulfanyl)pentane?
1-(3-methylbutan-2-ylsulfanyl)pentane has a molecular weight of 174.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-ylsulfanyl)pentane is sourced from PubChem (CID 525365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).