2-methyl-1-methylsulfanylbutane

C6H14S — CID 22950924

IUPAC2-methyl-1-methylsulfanylbutane
SMILESCCC(C)CSC
InChIInChI=1S/C6H14S/c1-4-6(2)5-7-3/h6H,4-5H2,1-3H3
InChIKeyXMOUDDXUCXXDTJ-UHFFFAOYSA-N
MW118.25 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-1-methylsulfanylbutane

2-methyl-1-methylsulfanylbutane (PubChem CID 22950924) has the molecular formula C6H14S and a molecular weight of 118.25 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylbutane.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylbutane
PubChem CID22950924
Molecular FormulaC6H14S
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Name2-methyl-1-methylsulfanylbutane
SMILESCCC(C)CSC
InChIInChI=1S/C6H14S/c1-4-6(2)5-7-3/h6H,4-5H2,1-3H3
InChIKeyXMOUDDXUCXXDTJ-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Butyl methyl sulfide
CID 12339
Methyl propyl sulphide
CID 19754
Isobutyl propyl sulfide
CID 137188
Sulfide, isobutyl isopropyl
CID 292853
2-(Methylthio)butane
CID 93062
3-Methylthiolane
CID 138337
5-Methyl-2-thiahexane
CID 294568
Butane, 1,1'-thiobis[3-methyl-
CID 10990
Propane, 2,2-dimethyl-1-(methylthio)-
CID 138656
Isobutyl methyl sulfide
CID 263077
Ethyl isobutyl sulfide
CID 519219
2-Methyl-2-(methylsulfanyl)butane
CID 525429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanylbutane?
The IUPAC name of 2-methyl-1-methylsulfanylbutane (CID 22950924) is 2-methyl-1-methylsulfanylbutane.
What is the SMILES notation for 2-methyl-1-methylsulfanylbutane?
The canonical SMILES for 2-methyl-1-methylsulfanylbutane is CCC(C)CSC.
What is the InChIKey of 2-methyl-1-methylsulfanylbutane?
The InChIKey is XMOUDDXUCXXDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S/c1-4-6(2)5-7-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanylbutane?
2-methyl-1-methylsulfanylbutane has a molecular weight of 118.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylbutane is sourced from PubChem (CID 22950924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).