1-ethylsulfanyl-2-methylpropane

C6H14S — CID 519219

IUPAC1-ethylsulfanyl-2-methylpropane
SMILESCCSCC(C)C
InChIInChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyOIRKGXWQBSPXLQ-UHFFFAOYSA-N
MW118.25 g/mol
LogP2.40
Rot. Bonds3

About 1-ethylsulfanyl-2-methylpropane

1-ethylsulfanyl-2-methylpropane (PubChem CID 519219) has the molecular formula C6H14S and a molecular weight of 118.25 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-methylpropane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-methylpropane
PubChem CID519219
Molecular FormulaC6H14S
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Name1-ethylsulfanyl-2-methylpropane
SMILESCCSCC(C)C
InChIInChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyOIRKGXWQBSPXLQ-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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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-methylpropane?
The IUPAC name of 1-ethylsulfanyl-2-methylpropane (CID 519219) is 1-ethylsulfanyl-2-methylpropane.
What is the SMILES notation for 1-ethylsulfanyl-2-methylpropane?
The canonical SMILES for 1-ethylsulfanyl-2-methylpropane is CCSCC(C)C.
What is the InChIKey of 1-ethylsulfanyl-2-methylpropane?
The InChIKey is OIRKGXWQBSPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-2-methylpropane?
1-ethylsulfanyl-2-methylpropane 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 1-ethylsulfanyl-2-methylpropane is sourced from PubChem (CID 519219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).