2-methoxy-2-methylsulfanylbutane

C6H14OS — CID 123157365

IUPAC2-methoxy-2-methylsulfanylbutane
SMILESCCC(C)(OC)SC
InChIInChI=1S/C6H14OS/c1-5-6(2,7-3)8-4/h5H2,1-4H3
InChIKeyYBCPGHTWWYSRQB-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.12
Rot. Bonds3

About 2-methoxy-2-methylsulfanylbutane

2-methoxy-2-methylsulfanylbutane (PubChem CID 123157365) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methoxy-2-methylsulfanylbutane.

Molecular Properties

Compound Name2-methoxy-2-methylsulfanylbutane
PubChem CID123157365
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methoxy-2-methylsulfanylbutane
SMILESCCC(C)(OC)SC
InChIInChI=1S/C6H14OS/c1-5-6(2,7-3)8-4/h5H2,1-4H3
InChIKeyYBCPGHTWWYSRQB-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine
CID 137419169
2-methoxy-2-methylsulfanylpropane
CID 22975969
2,2-bis(methylsulfanyl)butane
CID 90995794
1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane
CID 175504709
2-methylsulfanylbutane-2-thiol
CID 89333098
2-methoxybutan-2-amine
CID 21116415
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
2-methyl-2-(trideuteriomethoxy)butane
CID 71309614
bis(2-methoxybutan-2-yl)diazene
CID 54130241
4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
CID 165442895
3-ethyl-1-methoxy-3-methylsulfanylpentane
CID 170037969
3-methyl-3-methylsulfanylhexane
CID 91501828

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylsulfanylbutane?
The IUPAC name of 2-methoxy-2-methylsulfanylbutane (CID 123157365) is 2-methoxy-2-methylsulfanylbutane.
What is the SMILES notation for 2-methoxy-2-methylsulfanylbutane?
The canonical SMILES for 2-methoxy-2-methylsulfanylbutane is CCC(C)(OC)SC.
What is the InChIKey of 2-methoxy-2-methylsulfanylbutane?
The InChIKey is YBCPGHTWWYSRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5-6(2,7-3)8-4/h5H2,1-4H3.
What are the key properties of 2-methoxy-2-methylsulfanylbutane?
2-methoxy-2-methylsulfanylbutane has a molecular weight of 134.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylsulfanylbutane is sourced from PubChem (CID 123157365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).