1-ethylsulfanyl-3-methylcyclobutane

C7H14S — CID 54569316

IUPAC1-ethylsulfanyl-3-methylcyclobutane
SMILESCCSC1CC(C)C1
InChIInChI=1S/C7H14S/c1-3-8-7-4-6(2)5-7/h6-7H,3-5H2,1-2H3
InChIKeyZWCWMLYQVYKYQR-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.54
Rot. Bonds2

About 1-ethylsulfanyl-3-methylcyclobutane

1-ethylsulfanyl-3-methylcyclobutane (PubChem CID 54569316) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-methylcyclobutane.

Molecular Properties

Compound Name1-ethylsulfanyl-3-methylcyclobutane
PubChem CID54569316
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-ethylsulfanyl-3-methylcyclobutane
SMILESCCSC1CC(C)C1
InChIInChI=1S/C7H14S/c1-3-8-7-4-6(2)5-7/h6-7H,3-5H2,1-2H3
InChIKeyZWCWMLYQVYKYQR-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-methylcyclobutane?
The IUPAC name of 1-ethylsulfanyl-3-methylcyclobutane (CID 54569316) is 1-ethylsulfanyl-3-methylcyclobutane.
What is the SMILES notation for 1-ethylsulfanyl-3-methylcyclobutane?
The canonical SMILES for 1-ethylsulfanyl-3-methylcyclobutane is CCSC1CC(C)C1.
What is the InChIKey of 1-ethylsulfanyl-3-methylcyclobutane?
The InChIKey is ZWCWMLYQVYKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-3-8-7-4-6(2)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-methylcyclobutane?
1-ethylsulfanyl-3-methylcyclobutane has a molecular weight of 130.26 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 1-ethylsulfanyl-3-methylcyclobutane is sourced from PubChem (CID 54569316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).