1-(3-ethoxycyclohexyl)ethanethiol

C10H20OS — CID 129214510

IUPAC1-(3-ethoxycyclohexyl)ethanethiol
SMILESCCOC1CCCC(C(C)S)C1
InChIInChI=1S/C10H20OS/c1-3-11-10-6-4-5-9(7-10)8(2)12/h8-10,12H,3-7H2,1-2H3
InChIKeyHSNASFGIZDGQGD-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.90
Rot. Bonds3

About 1-(3-ethoxycyclohexyl)ethanethiol

1-(3-ethoxycyclohexyl)ethanethiol (PubChem CID 129214510) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclohexyl)ethanethiol.

Molecular Properties

Compound Name1-(3-ethoxycyclohexyl)ethanethiol
PubChem CID129214510
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-(3-ethoxycyclohexyl)ethanethiol
SMILESCCOC1CCCC(C(C)S)C1
InChIInChI=1S/C10H20OS/c1-3-11-10-6-4-5-9(7-10)8(2)12/h8-10,12H,3-7H2,1-2H3
InChIKeyHSNASFGIZDGQGD-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclohexyl)ethanethiol?
The IUPAC name of 1-(3-ethoxycyclohexyl)ethanethiol (CID 129214510) is 1-(3-ethoxycyclohexyl)ethanethiol.
What is the SMILES notation for 1-(3-ethoxycyclohexyl)ethanethiol?
The canonical SMILES for 1-(3-ethoxycyclohexyl)ethanethiol is CCOC1CCCC(C(C)S)C1.
What is the InChIKey of 1-(3-ethoxycyclohexyl)ethanethiol?
The InChIKey is HSNASFGIZDGQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-11-10-6-4-5-9(7-10)8(2)12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclohexyl)ethanethiol?
1-(3-ethoxycyclohexyl)ethanethiol has a molecular weight of 188.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclohexyl)ethanethiol is sourced from PubChem (CID 129214510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).