4-ethylidenethiane 1,1-dioxide

C7H12O2S — CID 59255537

IUPAC4-ethylidenethiane 1,1-dioxide
SMILESCC=C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12O2S/c1-2-7-3-5-10(8,9)6-4-7/h2H,3-6H2,1H3
InChIKeyLAIKYVCNVNBVTN-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.14
Rot. Bonds

About 4-ethylidenethiane 1,1-dioxide

4-ethylidenethiane 1,1-dioxide (PubChem CID 59255537) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-ethylidenethiane 1,1-dioxide.

Molecular Properties

Compound Name4-ethylidenethiane 1,1-dioxide
PubChem CID59255537
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name4-ethylidenethiane 1,1-dioxide
SMILESCC=C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12O2S/c1-2-7-3-5-10(8,9)6-4-7/h2H,3-6H2,1H3
InChIKeyLAIKYVCNVNBVTN-UHFFFAOYSA-N
XLogP1.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.14
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 4-ethylidenethiane 1,1-dioxide?
The IUPAC name of 4-ethylidenethiane 1,1-dioxide (CID 59255537) is 4-ethylidenethiane 1,1-dioxide.
What is the SMILES notation for 4-ethylidenethiane 1,1-dioxide?
The canonical SMILES for 4-ethylidenethiane 1,1-dioxide is CC=C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-ethylidenethiane 1,1-dioxide?
The InChIKey is LAIKYVCNVNBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-7-3-5-10(8,9)6-4-7/h2H,3-6H2,1H3.
What are the key properties of 4-ethylidenethiane 1,1-dioxide?
4-ethylidenethiane 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenethiane 1,1-dioxide is sourced from PubChem (CID 59255537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).