2-(2-methylsulfanylethoxy)butane

C7H16OS — CID 104863796

IUPAC2-(2-methylsulfanylethoxy)butane
SMILESCCC(C)OCCSC
InChIInChI=1S/C7H16OS/c1-4-7(2)8-5-6-9-3/h7H,4-6H2,1-3H3
InChIKeyZLRFHRSOSOGAOZ-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-methylsulfanylethoxy)butane

2-(2-methylsulfanylethoxy)butane (PubChem CID 104863796) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-(2-methylsulfanylethoxy)butane.

Molecular Properties

Compound Name2-(2-methylsulfanylethoxy)butane
PubChem CID104863796
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-(2-methylsulfanylethoxy)butane
SMILESCCC(C)OCCSC
InChIInChI=1S/C7H16OS/c1-4-7(2)8-5-6-9-3/h7H,4-6H2,1-3H3
InChIKeyZLRFHRSOSOGAOZ-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)-2-methylsulfanylethane
CID 122581351
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
3-butan-2-yloxypropan-1-amine
CID 54795719
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
3-butan-2-yloxypropyl acetate
CID 134215719
2-methylsulfanylethyl (2R)-2-hydroxypropanoate
CID 130750231
7-butan-2-yloxyheptan-1-ol
CID 90727194
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
CID 89015746

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethoxy)butane?
The IUPAC name of 2-(2-methylsulfanylethoxy)butane (CID 104863796) is 2-(2-methylsulfanylethoxy)butane.
What is the SMILES notation for 2-(2-methylsulfanylethoxy)butane?
The canonical SMILES for 2-(2-methylsulfanylethoxy)butane is CCC(C)OCCSC.
What is the InChIKey of 2-(2-methylsulfanylethoxy)butane?
The InChIKey is ZLRFHRSOSOGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-4-7(2)8-5-6-9-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2-methylsulfanylethoxy)butane?
2-(2-methylsulfanylethoxy)butane has a molecular weight of 148.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethoxy)butane is sourced from PubChem (CID 104863796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).