2-(ethenylsulfanylmethyl)oxolane

C7H12OS — CID 19076165

IUPAC2-(ethenylsulfanylmethyl)oxolane
SMILESC=CSCC1CCCO1
InChIInChI=1S/C7H12OS/c1-2-9-6-7-4-3-5-8-7/h2,7H,1,3-6H2
InChIKeyDKWCDHXPJRDUQX-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds3

About 2-(ethenylsulfanylmethyl)oxolane

2-(ethenylsulfanylmethyl)oxolane (PubChem CID 19076165) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(ethenylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(ethenylsulfanylmethyl)oxolane
PubChem CID19076165
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(ethenylsulfanylmethyl)oxolane
SMILESC=CSCC1CCCO1
InChIInChI=1S/C7H12OS/c1-2-9-6-7-4-3-5-8-7/h2,7H,1,3-6H2
InChIKeyDKWCDHXPJRDUQX-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

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Related Compounds

(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
CID 66242081
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
(E)-4-(oxolan-2-ylmethylsulfanyl)but-2-enoic acid
CID 106493630
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
CID 106495008
10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
CID 177221877
2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane
CID 70269130
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylsulfanylmethyl)oxolane?
The IUPAC name of 2-(ethenylsulfanylmethyl)oxolane (CID 19076165) is 2-(ethenylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(ethenylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(ethenylsulfanylmethyl)oxolane is C=CSCC1CCCO1.
What is the InChIKey of 2-(ethenylsulfanylmethyl)oxolane?
The InChIKey is DKWCDHXPJRDUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-9-6-7-4-3-5-8-7/h2,7H,1,3-6H2.
What are the key properties of 2-(ethenylsulfanylmethyl)oxolane?
2-(ethenylsulfanylmethyl)oxolane 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-(ethenylsulfanylmethyl)oxolane is sourced from PubChem (CID 19076165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).