3-methyl-1-(3-methylbutylsulfanyl)butane

C10H22S — CID 10990

IUPAC3-methyl-1-(3-methylbutylsulfanyl)butane
SMILESCC(C)CCSCCC(C)C
InChIInChI=1S/C10H22S/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyJWEWNTJADCWFRP-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.81
Rot. Bonds6

About 3-methyl-1-(3-methylbutylsulfanyl)butane

3-methyl-1-(3-methylbutylsulfanyl)butane (PubChem CID 10990) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutylsulfanyl)butane.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutylsulfanyl)butane
PubChem CID10990
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name3-methyl-1-(3-methylbutylsulfanyl)butane
SMILESCC(C)CCSCCC(C)C
InChIInChI=1S/C10H22S/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyJWEWNTJADCWFRP-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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 3-methyl-1-(3-methylbutylsulfanyl)butane?
The IUPAC name of 3-methyl-1-(3-methylbutylsulfanyl)butane (CID 10990) is 3-methyl-1-(3-methylbutylsulfanyl)butane.
What is the SMILES notation for 3-methyl-1-(3-methylbutylsulfanyl)butane?
The canonical SMILES for 3-methyl-1-(3-methylbutylsulfanyl)butane is CC(C)CCSCCC(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbutylsulfanyl)butane?
The InChIKey is JWEWNTJADCWFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylbutylsulfanyl)butane?
3-methyl-1-(3-methylbutylsulfanyl)butane has a molecular weight of 174.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutylsulfanyl)butane is sourced from PubChem (CID 10990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).