2-methyl-2-methylsulfanylbutane

C6H14S — CID 525429

IUPAC2-methyl-2-methylsulfanylbutane
SMILESCCC(C)(C)SC
InChIInChI=1S/C6H14S/c1-5-6(2,3)7-4/h5H2,1-4H3
InChIKeySJOHDSPLOVBXOF-UHFFFAOYSA-N
MW118.24 g/mol
LogP2.54
Rot. Bonds2

About 2-methyl-2-methylsulfanylbutane

2-methyl-2-methylsulfanylbutane (PubChem CID 525429) has the molecular formula C6H14S and a molecular weight of 118.24 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylbutane.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylbutane
PubChem CID525429
Molecular FormulaC6H14S
Molecular Weight118.24 g/mol
Exact Mass118.08
IUPAC Name2-methyl-2-methylsulfanylbutane
SMILESCCC(C)(C)SC
InChIInChI=1S/C6H14S/c1-5-6(2,3)7-4/h5H2,1-4H3
InChIKeySJOHDSPLOVBXOF-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanylbutane?
The IUPAC name of 2-methyl-2-methylsulfanylbutane (CID 525429) is 2-methyl-2-methylsulfanylbutane.
What is the SMILES notation for 2-methyl-2-methylsulfanylbutane?
The canonical SMILES for 2-methyl-2-methylsulfanylbutane is CCC(C)(C)SC.
What is the InChIKey of 2-methyl-2-methylsulfanylbutane?
The InChIKey is SJOHDSPLOVBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S/c1-5-6(2,3)7-4/h5H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfanylbutane?
2-methyl-2-methylsulfanylbutane has a molecular weight of 118.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylbutane is sourced from PubChem (CID 525429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).