1-pent-2-en-2-ylsulfanylpropan-2-ol

C8H16OS — CID 23272782

IUPAC1-pent-2-en-2-ylsulfanylpropan-2-ol
SMILESCCC=C(C)SCC(C)O
InChIInChI=1S/C8H16OS/c1-4-5-8(3)10-6-7(2)9/h5,7,9H,4,6H2,1-3H3
InChIKeySJKFHMHTACMOIR-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.41
Rot. Bonds4

About 1-pent-2-en-2-ylsulfanylpropan-2-ol

1-pent-2-en-2-ylsulfanylpropan-2-ol (PubChem CID 23272782) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-pent-2-en-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-pent-2-en-2-ylsulfanylpropan-2-ol
PubChem CID23272782
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-pent-2-en-2-ylsulfanylpropan-2-ol
SMILESCCC=C(C)SCC(C)O
InChIInChI=1S/C8H16OS/c1-4-5-8(3)10-6-7(2)9/h5,7,9H,4,6H2,1-3H3
InChIKeySJKFHMHTACMOIR-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-ol
CID 71498428
2-(2,6-Octadien-1-ylthio)ethanol
CID 3023713
2-(2,6-Octadienylthio)ethanol
CID 6366458
1,1,1-trifluoro-3-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanylpropan-2-ol
CID 138481038
(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
3-(2-Hydroxy ethylthio)-3-hexene
CID 129809436
2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanol
CID 176430968
2-[(2E,6E,10E)-dodeca-2,6,10-trienyl]sulfanylethanol
CID 13643474
2-Dodeca-2,6,10-trienylsulfanylethanol
CID 54464560
(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
CID 89139064
1-[(E)-5-bromo-3-methylpent-2-enyl]sulfanylpropan-2-ol
CID 89396736
1-(5-Bromo-3-methylpent-2-enyl)sulfanylpropan-2-ol
CID 123411469

Frequently Asked Questions

What is the IUPAC name of 1-pent-2-en-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-pent-2-en-2-ylsulfanylpropan-2-ol (CID 23272782) is 1-pent-2-en-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-pent-2-en-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-pent-2-en-2-ylsulfanylpropan-2-ol is CCC=C(C)SCC(C)O.
What is the InChIKey of 1-pent-2-en-2-ylsulfanylpropan-2-ol?
The InChIKey is SJKFHMHTACMOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-5-8(3)10-6-7(2)9/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 1-pent-2-en-2-ylsulfanylpropan-2-ol?
1-pent-2-en-2-ylsulfanylpropan-2-ol has a molecular weight of 160.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-2-en-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 23272782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).