5-prop-2-enylthiolan-3-ol

C7H12OS — CID 57044967

IUPAC5-prop-2-enylthiolan-3-ol
SMILESC=CCC1CC(O)CS1
InChIInChI=1S/C7H12OS/c1-2-3-7-4-6(8)5-9-7/h2,6-8H,1,3-5H2
InChIKeyJGFFTXXBYVNUOO-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.43
Rot. Bonds2

About 5-prop-2-enylthiolan-3-ol

5-prop-2-enylthiolan-3-ol (PubChem CID 57044967) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 5-prop-2-enylthiolan-3-ol.

Molecular Properties

Compound Name5-prop-2-enylthiolan-3-ol
PubChem CID57044967
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name5-prop-2-enylthiolan-3-ol
SMILESC=CCC1CC(O)CS1
InChIInChI=1S/C7H12OS/c1-2-3-7-4-6(8)5-9-7/h2,6-8H,1,3-5H2
InChIKeyJGFFTXXBYVNUOO-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol
CID 10243572
2-(hydroxymethyl)thiane-3,5-diol
CID 130152138
2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
CID 68534955
(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol
CID 178195325
3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 130151853
cis-(2S,4S)-4-hydroxy-1-methyl-2-prop-2-enylcyclohexane-1-carboxylic acid
CID 67842177
2,5-diethyl-1,4-dithiane;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 158435421
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
2,5-bis(ethenyl)-1,4-dithiane
CID 170403521
2-ethenylcyclopropan-1-ol
CID 54500145

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylthiolan-3-ol?
The IUPAC name of 5-prop-2-enylthiolan-3-ol (CID 57044967) is 5-prop-2-enylthiolan-3-ol.
What is the SMILES notation for 5-prop-2-enylthiolan-3-ol?
The canonical SMILES for 5-prop-2-enylthiolan-3-ol is C=CCC1CC(O)CS1.
What is the InChIKey of 5-prop-2-enylthiolan-3-ol?
The InChIKey is JGFFTXXBYVNUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-3-7-4-6(8)5-9-7/h2,6-8H,1,3-5H2.
What are the key properties of 5-prop-2-enylthiolan-3-ol?
5-prop-2-enylthiolan-3-ol has a molecular weight of 144.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylthiolan-3-ol is sourced from PubChem (CID 57044967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).