(E)-2-cyclohexylethenethiol

C8H14S — CID 142947684

IUPAC(E)-2-cyclohexylethenethiol
SMILESS/C=C/C1CCCCC1
InChIInChI=1S/C8H14S/c9-7-6-8-4-2-1-3-5-8/h6-9H,1-5H2/b7-6+
InChIKeySZOJODIFLHDQMR-VOTSOKGWSA-N
MW142.27 g/mol
LogP3.01
Rot. Bonds1

About (E)-2-cyclohexylethenethiol

(E)-2-cyclohexylethenethiol (PubChem CID 142947684) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (E)-2-cyclohexylethenethiol.

Molecular Properties

Compound Name(E)-2-cyclohexylethenethiol
PubChem CID142947684
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(E)-2-cyclohexylethenethiol
SMILESS/C=C/C1CCCCC1
InChIInChI=1S/C8H14S/c9-7-6-8-4-2-1-3-5-8/h6-9H,1-5H2/b7-6+
InChIKeySZOJODIFLHDQMR-VOTSOKGWSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
CID 129322249
prop-1-enylcyclododecane
CID 139760926
2-iodoethenylcyclohexane
CID 71361827
3-cyclohexylprop-2-enal
CID 54063598
(E)-2-cyclopentylethenamine
CID 144971488
(Z)-3-cycloheptylprop-2-enenitrile
CID 11636824
[(E)-but-1-enyl]cyclodecane
CID 173272598
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
CID 126844557
[(E)-but-1-en-3-ynyl]cyclohexane
CID 14529129
cyclodecanecarbaldehyde
CID 13240747

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexylethenethiol?
The IUPAC name of (E)-2-cyclohexylethenethiol (CID 142947684) is (E)-2-cyclohexylethenethiol.
What is the SMILES notation for (E)-2-cyclohexylethenethiol?
The canonical SMILES for (E)-2-cyclohexylethenethiol is S/C=C/C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexylethenethiol?
The InChIKey is SZOJODIFLHDQMR-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14S/c9-7-6-8-4-2-1-3-5-8/h6-9H,1-5H2/b7-6+.
What are the key properties of (E)-2-cyclohexylethenethiol?
(E)-2-cyclohexylethenethiol has a molecular weight of 142.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexylethenethiol is sourced from PubChem (CID 142947684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).