ethene;2-methylthiolane 1,1-dioxide

C7H14O2S — CID 70479135

IUPACethene;2-methylthiolane 1,1-dioxide
SMILESC=C.CC1CCCS1(=O)=O
InChIInChI=1S/C5H10O2S.C2H4/c1-5-3-2-4-8(5,6)7;1-2/h5H,2-4H2,1H3;1-2H2
InChIKeyLFJDJVPPRIVWQK-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.39
Rot. Bonds

About ethene;2-methylthiolane 1,1-dioxide

ethene;2-methylthiolane 1,1-dioxide (PubChem CID 70479135) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is ethene;2-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Nameethene;2-methylthiolane 1,1-dioxide
PubChem CID70479135
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Nameethene;2-methylthiolane 1,1-dioxide
SMILESC=C.CC1CCCS1(=O)=O
InChIInChI=1S/C5H10O2S.C2H4/c1-5-3-2-4-8(5,6)7;1-2/h5H,2-4H2,1H3;1-2H2
InChIKeyLFJDJVPPRIVWQK-UHFFFAOYSA-N
XLogP1.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-methylthiolane 1,1-dioxide?
The IUPAC name of ethene;2-methylthiolane 1,1-dioxide (CID 70479135) is ethene;2-methylthiolane 1,1-dioxide.
What is the SMILES notation for ethene;2-methylthiolane 1,1-dioxide?
The canonical SMILES for ethene;2-methylthiolane 1,1-dioxide is C=C.CC1CCCS1(=O)=O.
What is the InChIKey of ethene;2-methylthiolane 1,1-dioxide?
The InChIKey is LFJDJVPPRIVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.C2H4/c1-5-3-2-4-8(5,6)7;1-2/h5H,2-4H2,1H3;1-2H2.
What are the key properties of ethene;2-methylthiolane 1,1-dioxide?
ethene;2-methylthiolane 1,1-dioxide has a molecular weight of 162.25 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylthiolane 1,1-dioxide is sourced from PubChem (CID 70479135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).