ethylsulfanylcyclohexane

C8H16S — CID 557553

IUPACethylsulfanylcyclohexane
SMILESCCSC1CCCCC1
InChIInChI=1S/C8H16S/c1-2-9-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyMSFZETFHSWQOQR-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.07
Rot. Bonds2

About ethylsulfanylcyclohexane

ethylsulfanylcyclohexane (PubChem CID 557553) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is ethylsulfanylcyclohexane.

Molecular Properties

Compound Nameethylsulfanylcyclohexane
PubChem CID557553
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Nameethylsulfanylcyclohexane
SMILESCCSC1CCCCC1
InChIInChI=1S/C8H16S/c1-2-9-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyMSFZETFHSWQOQR-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylcyclohexane?
The IUPAC name of ethylsulfanylcyclohexane (CID 557553) is ethylsulfanylcyclohexane.
What is the SMILES notation for ethylsulfanylcyclohexane?
The canonical SMILES for ethylsulfanylcyclohexane is CCSC1CCCCC1.
What is the InChIKey of ethylsulfanylcyclohexane?
The InChIKey is MSFZETFHSWQOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-2-9-8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of ethylsulfanylcyclohexane?
ethylsulfanylcyclohexane has a molecular weight of 144.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylcyclohexane is sourced from PubChem (CID 557553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).