2-prop-2-enylsulfonyl-2,3-dihydrothiophene

C7H10O2S2 — CID 174565423

IUPAC2-prop-2-enylsulfonyl-2,3-dihydrothiophene
SMILESC=CCS(=O)(=O)C1CC=CS1
InChIInChI=1S/C7H10O2S2/c1-2-6-11(8,9)7-4-3-5-10-7/h2-3,5,7H,1,4,6H2
InChIKeySIPXLBPAZKATJX-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.56
Rot. Bonds3

About 2-prop-2-enylsulfonyl-2,3-dihydrothiophene

2-prop-2-enylsulfonyl-2,3-dihydrothiophene (PubChem CID 174565423) has the molecular formula C7H10O2S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-prop-2-enylsulfonyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-prop-2-enylsulfonyl-2,3-dihydrothiophene
PubChem CID174565423
Molecular FormulaC7H10O2S2
Molecular Weight190.29 g/mol
Exact Mass190.01
IUPAC Name2-prop-2-enylsulfonyl-2,3-dihydrothiophene
SMILESC=CCS(=O)(=O)C1CC=CS1
InChIInChI=1S/C7H10O2S2/c1-2-6-11(8,9)7-4-3-5-10-7/h2-3,5,7H,1,4,6H2
InChIKeySIPXLBPAZKATJX-UHFFFAOYSA-N
XLogP1.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-prop-2-enylsulfonyl-2,3-dihydrothiophene?
The IUPAC name of 2-prop-2-enylsulfonyl-2,3-dihydrothiophene (CID 174565423) is 2-prop-2-enylsulfonyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-prop-2-enylsulfonyl-2,3-dihydrothiophene?
The canonical SMILES for 2-prop-2-enylsulfonyl-2,3-dihydrothiophene is C=CCS(=O)(=O)C1CC=CS1.
What is the InChIKey of 2-prop-2-enylsulfonyl-2,3-dihydrothiophene?
The InChIKey is SIPXLBPAZKATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S2/c1-2-6-11(8,9)7-4-3-5-10-7/h2-3,5,7H,1,4,6H2.
What are the key properties of 2-prop-2-enylsulfonyl-2,3-dihydrothiophene?
2-prop-2-enylsulfonyl-2,3-dihydrothiophene has a molecular weight of 190.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonyl-2,3-dihydrothiophene is sourced from PubChem (CID 174565423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).