2-prop-2-enylsulfanyloxolane

C7H12OS — CID 11367062

IUPAC2-prop-2-enylsulfanyloxolane
SMILESC=CCSC1CCCO1
InChIInChI=1S/C7H12OS/c1-2-6-9-7-4-3-5-8-7/h2,7H,1,3-6H2
InChIKeyKWOSCIXAEPWTER-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds3

About 2-prop-2-enylsulfanyloxolane

2-prop-2-enylsulfanyloxolane (PubChem CID 11367062) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyloxolane.

Molecular Properties

Compound Name2-prop-2-enylsulfanyloxolane
PubChem CID11367062
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-prop-2-enylsulfanyloxolane
SMILESC=CCSC1CCCO1
InChIInChI=1S/C7H12OS/c1-2-6-9-7-4-3-5-8-7/h2,7H,1,3-6H2
InChIKeyKWOSCIXAEPWTER-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yldisulfanyl)oxolane
CID 87150973
oxolan-2-yl thiohypofluorite;tetrahydrofluoride
CID 173461744
trimethyl(oxan-2-ylsulfanylmethyl)silane
CID 13498367
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
2-(chloromethyl)oxolane;N-prop-2-enylprop-2-en-1-amine
CID 67292903
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(2R,3S)-3-ethenyl-2-methyloxane
CID 134995886
[(2R)-oxolan-2-yl]sulfanylformic acid
CID 87718897
2-(oxolan-2-yl)butanal
CID 84716261
2-dodecylsulfanyloxane;molecular oxygen
CID 161404483

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyloxolane?
The IUPAC name of 2-prop-2-enylsulfanyloxolane (CID 11367062) is 2-prop-2-enylsulfanyloxolane.
What is the SMILES notation for 2-prop-2-enylsulfanyloxolane?
The canonical SMILES for 2-prop-2-enylsulfanyloxolane is C=CCSC1CCCO1.
What is the InChIKey of 2-prop-2-enylsulfanyloxolane?
The InChIKey is KWOSCIXAEPWTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-6-9-7-4-3-5-8-7/h2,7H,1,3-6H2.
What are the key properties of 2-prop-2-enylsulfanyloxolane?
2-prop-2-enylsulfanyloxolane has a molecular weight of 144.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyloxolane is sourced from PubChem (CID 11367062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).