2-methyl-2-sulfanyloxybutane

C5H12OS — CID 141118976

IUPAC2-methyl-2-sulfanyloxybutane
SMILESCCC(C)(C)OS
InChIInChI=1S/C5H12OS/c1-4-5(2,3)6-7/h7H,4H2,1-3H3
InChIKeyFJDVVLLYKLDSMM-UHFFFAOYSA-N
MW120.22 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-2-sulfanyloxybutane

2-methyl-2-sulfanyloxybutane (PubChem CID 141118976) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-methyl-2-sulfanyloxybutane.

Molecular Properties

Compound Name2-methyl-2-sulfanyloxybutane
PubChem CID141118976
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-methyl-2-sulfanyloxybutane
SMILESCCC(C)(C)OS
InChIInChI=1S/C5H12OS/c1-4-5(2,3)6-7/h7H,4H2,1-3H3
InChIKeyFJDVVLLYKLDSMM-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4,4-trimethyl-2-sulfanyloxyhexane
CID 146614294
2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
CID 134978808
CID 134978808
hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
tris(2-methylbutan-2-yloxy)alumane
CID 18974578
2,4,5-trimethyl-2-sulfanyloxyhexane
CID 123823235
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
CID 175267598
CID 175267598
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
2-methyl-2-(trideuteriomethoxy)butane
CID 71309614
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfanyloxybutane?
The IUPAC name of 2-methyl-2-sulfanyloxybutane (CID 141118976) is 2-methyl-2-sulfanyloxybutane.
What is the SMILES notation for 2-methyl-2-sulfanyloxybutane?
The canonical SMILES for 2-methyl-2-sulfanyloxybutane is CCC(C)(C)OS.
What is the InChIKey of 2-methyl-2-sulfanyloxybutane?
The InChIKey is FJDVVLLYKLDSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-4-5(2,3)6-7/h7H,4H2,1-3H3.
What are the key properties of 2-methyl-2-sulfanyloxybutane?
2-methyl-2-sulfanyloxybutane has a molecular weight of 120.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfanyloxybutane is sourced from PubChem (CID 141118976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).