3,5-dimethylidenethiane 1,1-dioxide

C7H10O2S — CID 86205641

IUPAC3,5-dimethylidenethiane 1,1-dioxide
SMILESC=C1CC(=C)CS(=O)(=O)C1
InChIInChI=1S/C7H10O2S/c1-6-3-7(2)5-10(8,9)4-6/h1-5H2
InChIKeyINDNLLURJAUMQA-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.92
Rot. Bonds

About 3,5-dimethylidenethiane 1,1-dioxide

3,5-dimethylidenethiane 1,1-dioxide (PubChem CID 86205641) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 3,5-dimethylidenethiane 1,1-dioxide.

Molecular Properties

Compound Name3,5-dimethylidenethiane 1,1-dioxide
PubChem CID86205641
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name3,5-dimethylidenethiane 1,1-dioxide
SMILESC=C1CC(=C)CS(=O)(=O)C1
InChIInChI=1S/C7H10O2S/c1-6-3-7(2)5-10(8,9)4-6/h1-5H2
InChIKeyINDNLLURJAUMQA-UHFFFAOYSA-N
XLogP0.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Thiabicyclo[4.2.0]oct-8-ene, 7,7-dioxide
CID 272250
(1,1-Dioxothian-4-ylidene)methyl-trifluoroboranuide
CID 146081970
2-Methylidenethiane 1,1-dioxide
CID 10057630
5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330834
4-Ethylidenethiane 1,1-dioxide
CID 59255537
2-(Ethylsulfonylmethyl)but-1-ene
CID 59822992
4-methylenetetrahydro-2H-thiopyran 1,1-dioxide
CID 64663844
5-ethynyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 88890065
4-Methylidenethiane 1-oxide
CID 89336823
4-Ethenylthiane 1,1-dioxide
CID 89424204
4-Prop-1-en-2-ylthiane 1,1-dioxide
CID 89476824
1-Methylidene-4-methylsulfonylcyclohexane
CID 90725561

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylidenethiane 1,1-dioxide?
The IUPAC name of 3,5-dimethylidenethiane 1,1-dioxide (CID 86205641) is 3,5-dimethylidenethiane 1,1-dioxide.
What is the SMILES notation for 3,5-dimethylidenethiane 1,1-dioxide?
The canonical SMILES for 3,5-dimethylidenethiane 1,1-dioxide is C=C1CC(=C)CS(=O)(=O)C1.
What is the InChIKey of 3,5-dimethylidenethiane 1,1-dioxide?
The InChIKey is INDNLLURJAUMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-6-3-7(2)5-10(8,9)4-6/h1-5H2.
What are the key properties of 3,5-dimethylidenethiane 1,1-dioxide?
3,5-dimethylidenethiane 1,1-dioxide has a molecular weight of 158.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylidenethiane 1,1-dioxide is sourced from PubChem (CID 86205641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).