2-ethylsulfanyl-3-methylbutane

C7H16S — CID 525467

IUPAC2-ethylsulfanyl-3-methylbutane
SMILESCCSC(C)C(C)C
InChIInChI=1S/C7H16S/c1-5-8-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyQPTKFJOKFUMHID-UHFFFAOYSA-N
MW132.27 g/mol
LogP2.78
Rot. Bonds3

About 2-ethylsulfanyl-3-methylbutane

2-ethylsulfanyl-3-methylbutane (PubChem CID 525467) has the molecular formula C7H16S and a molecular weight of 132.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-methylbutane.

Molecular Properties

Compound Name2-ethylsulfanyl-3-methylbutane
PubChem CID525467
Molecular FormulaC7H16S
Molecular Weight132.27 g/mol
Exact Mass132.10
IUPAC Name2-ethylsulfanyl-3-methylbutane
SMILESCCSC(C)C(C)C
InChIInChI=1S/C7H16S/c1-5-8-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyQPTKFJOKFUMHID-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-methylbutane?
The IUPAC name of 2-ethylsulfanyl-3-methylbutane (CID 525467) is 2-ethylsulfanyl-3-methylbutane.
What is the SMILES notation for 2-ethylsulfanyl-3-methylbutane?
The canonical SMILES for 2-ethylsulfanyl-3-methylbutane is CCSC(C)C(C)C.
What is the InChIKey of 2-ethylsulfanyl-3-methylbutane?
The InChIKey is QPTKFJOKFUMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S/c1-5-8-7(4)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-3-methylbutane?
2-ethylsulfanyl-3-methylbutane has a molecular weight of 132.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-methylbutane is sourced from PubChem (CID 525467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).