2-cyclohex-2-en-1-ylethanethiol

C8H14S — CID 14172617

IUPAC2-cyclohex-2-en-1-ylethanethiol
SMILESSCCC1C=CCCC1
InChIInChI=1S/C8H14S/c9-7-6-8-4-2-1-3-5-8/h2,4,8-9H,1,3,5-7H2
InChIKeyXJOZFDQEKXPRLU-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.66
Rot. Bonds2

About 2-cyclohex-2-en-1-ylethanethiol

2-cyclohex-2-en-1-ylethanethiol (PubChem CID 14172617) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylethanethiol.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylethanethiol
PubChem CID14172617
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-cyclohex-2-en-1-ylethanethiol
SMILESSCCC1C=CCCC1
InChIInChI=1S/C8H14S/c9-7-6-8-4-2-1-3-5-8/h2,4,8-9H,1,3,5-7H2
InChIKeyXJOZFDQEKXPRLU-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylethanethiol?
The IUPAC name of 2-cyclohex-2-en-1-ylethanethiol (CID 14172617) is 2-cyclohex-2-en-1-ylethanethiol.
What is the SMILES notation for 2-cyclohex-2-en-1-ylethanethiol?
The canonical SMILES for 2-cyclohex-2-en-1-ylethanethiol is SCCC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylethanethiol?
The InChIKey is XJOZFDQEKXPRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c9-7-6-8-4-2-1-3-5-8/h2,4,8-9H,1,3,5-7H2.
What are the key properties of 2-cyclohex-2-en-1-ylethanethiol?
2-cyclohex-2-en-1-ylethanethiol has a molecular weight of 142.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylethanethiol is sourced from PubChem (CID 14172617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).