1-ethylsulfanylcyclohexene

C8H14S — CID 13056371

IUPAC1-ethylsulfanylcyclohexene
SMILESCCSC1=CCCCC1
InChIInChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyVFVNNXCARADEKM-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds2

About 1-ethylsulfanylcyclohexene

1-ethylsulfanylcyclohexene (PubChem CID 13056371) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-ethylsulfanylcyclohexene.

Molecular Properties

Compound Name1-ethylsulfanylcyclohexene
PubChem CID13056371
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-ethylsulfanylcyclohexene
SMILESCCSC1=CCCCC1
InChIInChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyVFVNNXCARADEKM-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylcyclohexene?
The IUPAC name of 1-ethylsulfanylcyclohexene (CID 13056371) is 1-ethylsulfanylcyclohexene.
What is the SMILES notation for 1-ethylsulfanylcyclohexene?
The canonical SMILES for 1-ethylsulfanylcyclohexene is CCSC1=CCCCC1.
What is the InChIKey of 1-ethylsulfanylcyclohexene?
The InChIKey is VFVNNXCARADEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-ethylsulfanylcyclohexene?
1-ethylsulfanylcyclohexene has a molecular weight of 142.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylcyclohexene is sourced from PubChem (CID 13056371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).