3-cyclohex-2-en-1-ylsulfanylpropan-1-ol

C9H16OS — CID 114620525

IUPAC3-cyclohex-2-en-1-ylsulfanylpropan-1-ol
SMILESOCCCSC1C=CCCC1
InChIInChI=1S/C9H16OS/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2
InChIKeyIWZHEJAGHNSELA-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.21
Rot. Bonds4

About 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol

3-cyclohex-2-en-1-ylsulfanylpropan-1-ol (PubChem CID 114620525) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-cyclohex-2-en-1-ylsulfanylpropan-1-ol
PubChem CID114620525
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3-cyclohex-2-en-1-ylsulfanylpropan-1-ol
SMILESOCCCSC1C=CCCC1
InChIInChI=1S/C9H16OS/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2
InChIKeyIWZHEJAGHNSELA-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Hexenylthio)ethanol
CID 3019034
2-(2,6-Octadien-1-ylthio)ethanol
CID 3023713
2-(2,6-Octadienylthio)ethanol
CID 6366458
6-(3-Fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol
CID 138723692
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
CID 130930746
2-[(2E,6E,10E)-dodeca-2,6,10-trienyl]sulfanylethanol
CID 13643474
(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122254
(5Z,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122257
(4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 25122614
(5Z,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122635
2-[(Z)-octadec-9-enyl]sulfanylethanol
CID 51032741
2-Dodeca-2,6,10-trienylsulfanylethanol
CID 54464560

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol?
The IUPAC name of 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol (CID 114620525) is 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol is OCCCSC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol?
The InChIKey is IWZHEJAGHNSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2.
What are the key properties of 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol?
3-cyclohex-2-en-1-ylsulfanylpropan-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-ylsulfanylpropan-1-ol is sourced from PubChem (CID 114620525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).