2-(3-ethylcyclohexyl)ethenethione

C10H16S — CID 58840998

IUPAC2-(3-ethylcyclohexyl)ethenethione
SMILESCCC1CCCC(C=C=S)C1
InChIInChI=1S/C10H16S/c1-2-9-4-3-5-10(8-9)6-7-11/h6,9-10H,2-5,8H2,1H3
InChIKeyKOVJBFXIOKDLDM-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.36
Rot. Bonds2

About 2-(3-ethylcyclohexyl)ethenethione

2-(3-ethylcyclohexyl)ethenethione (PubChem CID 58840998) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)ethenethione.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)ethenethione
PubChem CID58840998
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-(3-ethylcyclohexyl)ethenethione
SMILESCCC1CCCC(C=C=S)C1
InChIInChI=1S/C10H16S/c1-2-9-4-3-5-10(8-9)6-7-11/h6,9-10H,2-5,8H2,1H3
InChIKeyKOVJBFXIOKDLDM-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)ethenethione?
The IUPAC name of 2-(3-ethylcyclohexyl)ethenethione (CID 58840998) is 2-(3-ethylcyclohexyl)ethenethione.
What is the SMILES notation for 2-(3-ethylcyclohexyl)ethenethione?
The canonical SMILES for 2-(3-ethylcyclohexyl)ethenethione is CCC1CCCC(C=C=S)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)ethenethione?
The InChIKey is KOVJBFXIOKDLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-2-9-4-3-5-10(8-9)6-7-11/h6,9-10H,2-5,8H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)ethenethione?
2-(3-ethylcyclohexyl)ethenethione has a molecular weight of 168.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)ethenethione is sourced from PubChem (CID 58840998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).