4-propan-2-ylidenethiane 1,1-dioxide

C8H14O2S — CID 89041781

IUPAC4-propan-2-ylidenethiane 1,1-dioxide
SMILESCC(C)=C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14O2S/c1-7(2)8-3-5-11(9,10)6-4-8/h3-6H2,1-2H3
InChIKeyOLNXBNFVQMPXRQ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.53
Rot. Bonds

About 4-propan-2-ylidenethiane 1,1-dioxide

4-propan-2-ylidenethiane 1,1-dioxide (PubChem CID 89041781) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-propan-2-ylidenethiane 1,1-dioxide.

Molecular Properties

Compound Name4-propan-2-ylidenethiane 1,1-dioxide
PubChem CID89041781
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name4-propan-2-ylidenethiane 1,1-dioxide
SMILESCC(C)=C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14O2S/c1-7(2)8-3-5-11(9,10)6-4-8/h3-6H2,1-2H3
InChIKeyOLNXBNFVQMPXRQ-UHFFFAOYSA-N
XLogP1.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.53
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-propan-2-ylidenethiane 1,1-dioxide?
The IUPAC name of 4-propan-2-ylidenethiane 1,1-dioxide (CID 89041781) is 4-propan-2-ylidenethiane 1,1-dioxide.
What is the SMILES notation for 4-propan-2-ylidenethiane 1,1-dioxide?
The canonical SMILES for 4-propan-2-ylidenethiane 1,1-dioxide is CC(C)=C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-propan-2-ylidenethiane 1,1-dioxide?
The InChIKey is OLNXBNFVQMPXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(2)8-3-5-11(9,10)6-4-8/h3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylidenethiane 1,1-dioxide?
4-propan-2-ylidenethiane 1,1-dioxide has a molecular weight of 174.26 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidenethiane 1,1-dioxide is sourced from PubChem (CID 89041781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).