2-(cyclohexen-1-ylsulfanyl)ethanol

C8H14OS — CID 11457831

IUPAC2-(cyclohexen-1-ylsulfanyl)ethanol
SMILESOCCSC1=CCCCC1
InChIInChI=1S/C8H14OS/c9-6-7-10-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2
InChIKeyHNAFDNOCDPXHDC-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.17
Rot. Bonds3

About 2-(cyclohexen-1-ylsulfanyl)ethanol

2-(cyclohexen-1-ylsulfanyl)ethanol (PubChem CID 11457831) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-ylsulfanyl)ethanol
PubChem CID11457831
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(cyclohexen-1-ylsulfanyl)ethanol
SMILESOCCSC1=CCCCC1
InChIInChI=1S/C8H14OS/c9-6-7-10-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2
InChIKeyHNAFDNOCDPXHDC-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Hydroxy ethylthio)-3-hexene
CID 129809436
2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol
CID 123656565
1-Hex-3-en-3-ylsulfanylethanol
CID 123820341
Cyclohex-3-en-1-yl-ethyl-(2-hydroxyethyl)sulfanium
CID 164136158
2-Cyclopent-2-en-1-ylsulfanylethanol
CID 247168
3-(3,6-dihydro-2H-thiopyran-4-yl)propan-1-ol
CID 84049774
2-[(1R)-cyclopent-2-en-1-yl]sulfanylethanol
CID 92160104
2-[(1S)-cyclopent-2-en-1-yl]sulfanylethanol
CID 92171925
3-Cyclohex-2-en-1-ylsulfanylbutan-2-ol
CID 103706106
2-Hept-6-enylsulfanylethanol
CID 107007967
2-Cyclohex-2-en-1-ylsulfanylethanol
CID 114620524
3-Cyclohex-2-en-1-ylsulfanylpropan-1-ol
CID 114620525

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-ylsulfanyl)ethanol?
The IUPAC name of 2-(cyclohexen-1-ylsulfanyl)ethanol (CID 11457831) is 2-(cyclohexen-1-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(cyclohexen-1-ylsulfanyl)ethanol?
The canonical SMILES for 2-(cyclohexen-1-ylsulfanyl)ethanol is OCCSC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-ylsulfanyl)ethanol?
The InChIKey is HNAFDNOCDPXHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-6-7-10-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2.
What are the key properties of 2-(cyclohexen-1-ylsulfanyl)ethanol?
2-(cyclohexen-1-ylsulfanyl)ethanol has a molecular weight of 158.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-ylsulfanyl)ethanol is sourced from PubChem (CID 11457831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).