4-methylidenethiane 1,1-dioxide

C6H10O2S — CID 64663844

IUPAC4-methylidenethiane 1,1-dioxide
SMILESC=C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H10O2S/c1-6-2-4-9(7,8)5-3-6/h1-5H2
InChIKeyDVPBQXJLHSOLRJ-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.75
Rot. Bonds

About 4-methylidenethiane 1,1-dioxide

4-methylidenethiane 1,1-dioxide (PubChem CID 64663844) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-methylidenethiane 1,1-dioxide.

Molecular Properties

Compound Name4-methylidenethiane 1,1-dioxide
PubChem CID64663844
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name4-methylidenethiane 1,1-dioxide
SMILESC=C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H10O2S/c1-6-2-4-9(7,8)5-3-6/h1-5H2
InChIKeyDVPBQXJLHSOLRJ-UHFFFAOYSA-N
XLogP0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.75
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-methylidenethiane 1,1-dioxide?
The IUPAC name of 4-methylidenethiane 1,1-dioxide (CID 64663844) is 4-methylidenethiane 1,1-dioxide.
What is the SMILES notation for 4-methylidenethiane 1,1-dioxide?
The canonical SMILES for 4-methylidenethiane 1,1-dioxide is C=C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-methylidenethiane 1,1-dioxide?
The InChIKey is DVPBQXJLHSOLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-6-2-4-9(7,8)5-3-6/h1-5H2.
What are the key properties of 4-methylidenethiane 1,1-dioxide?
4-methylidenethiane 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenethiane 1,1-dioxide is sourced from PubChem (CID 64663844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).