(E)-4-cyclohexylbut-2-ene-1-thiol

C10H18S — CID 23317575

IUPAC(E)-4-cyclohexylbut-2-ene-1-thiol
SMILESSC/C=C/CC1CCCCC1
InChIInChI=1S/C10H18S/c11-9-5-4-8-10-6-2-1-3-7-10/h4-5,10-11H,1-3,6-9H2/b5-4+
InChIKeyYCWITVTYBJCSTH-SNAWJCMRSA-N
MW170.32 g/mol
LogP3.44
Rot. Bonds3

About (E)-4-cyclohexylbut-2-ene-1-thiol

(E)-4-cyclohexylbut-2-ene-1-thiol (PubChem CID 23317575) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (E)-4-cyclohexylbut-2-ene-1-thiol.

Molecular Properties

Compound Name(E)-4-cyclohexylbut-2-ene-1-thiol
PubChem CID23317575
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(E)-4-cyclohexylbut-2-ene-1-thiol
SMILESSC/C=C/CC1CCCCC1
InChIInChI=1S/C10H18S/c11-9-5-4-8-10-6-2-1-3-7-10/h4-5,10-11H,1-3,6-9H2/b5-4+
InChIKeyYCWITVTYBJCSTH-SNAWJCMRSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.44
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 (E)-4-cyclohexylbut-2-ene-1-thiol?
The IUPAC name of (E)-4-cyclohexylbut-2-ene-1-thiol (CID 23317575) is (E)-4-cyclohexylbut-2-ene-1-thiol.
What is the SMILES notation for (E)-4-cyclohexylbut-2-ene-1-thiol?
The canonical SMILES for (E)-4-cyclohexylbut-2-ene-1-thiol is SC/C=C/CC1CCCCC1.
What is the InChIKey of (E)-4-cyclohexylbut-2-ene-1-thiol?
The InChIKey is YCWITVTYBJCSTH-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18S/c11-9-5-4-8-10-6-2-1-3-7-10/h4-5,10-11H,1-3,6-9H2/b5-4+.
What are the key properties of (E)-4-cyclohexylbut-2-ene-1-thiol?
(E)-4-cyclohexylbut-2-ene-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohexylbut-2-ene-1-thiol is sourced from PubChem (CID 23317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).