3-(2-methylprop-2-enyl)thiolane

C8H14S — CID 89152874

IUPAC3-(2-methylprop-2-enyl)thiolane
SMILESC=C(C)CC1CCSC1
InChIInChI=1S/C8H14S/c1-7(2)5-8-3-4-9-6-8/h8H,1,3-6H2,2H3
InChIKeyBYVFMPATFLYMBJ-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.71
Rot. Bonds2

About 3-(2-methylprop-2-enyl)thiolane

3-(2-methylprop-2-enyl)thiolane (PubChem CID 89152874) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)thiolane.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)thiolane
PubChem CID89152874
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-(2-methylprop-2-enyl)thiolane
SMILESC=C(C)CC1CCSC1
InChIInChI=1S/C8H14S/c1-7(2)5-8-3-4-9-6-8/h8H,1,3-6H2,2H3
InChIKeyBYVFMPATFLYMBJ-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(thiolan-3-yl)propan-2-one
CID 82651393
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
4-methyl-1-(thian-4-yl)pent-4-en-2-one
CID 105112648
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
thiolan-3-ylmethyl acetate
CID 130652151
3-(2,2-dimethylpropyl)thiolane
CID 58797584
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
6-(thiolan-3-yl)hexan-2-one
CID 91581378
sodium thiolan-3-ylmethanethiolate
CID 20706984
2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166202

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)thiolane?
The IUPAC name of 3-(2-methylprop-2-enyl)thiolane (CID 89152874) is 3-(2-methylprop-2-enyl)thiolane.
What is the SMILES notation for 3-(2-methylprop-2-enyl)thiolane?
The canonical SMILES for 3-(2-methylprop-2-enyl)thiolane is C=C(C)CC1CCSC1.
What is the InChIKey of 3-(2-methylprop-2-enyl)thiolane?
The InChIKey is BYVFMPATFLYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7(2)5-8-3-4-9-6-8/h8H,1,3-6H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)thiolane?
3-(2-methylprop-2-enyl)thiolane has a molecular weight of 142.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)thiolane is sourced from PubChem (CID 89152874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).