2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide

C7H10O2S — CID 13441948

IUPAC2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
SMILESC=CCC1C=CCS1(=O)=O
InChIInChI=1S/C7H10O2S/c1-2-4-7-5-3-6-10(7,8)9/h2-3,5,7H,1,4,6H2
InChIKeyKADVEAOMQKHPEX-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.92
Rot. Bonds2

About 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide

2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 13441948) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID13441948
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
SMILESC=CCC1C=CCS1(=O)=O
InChIInChI=1S/C7H10O2S/c1-2-4-7-5-3-6-10(7,8)9/h2-3,5,7H,1,4,6H2
InChIKeyKADVEAOMQKHPEX-UHFFFAOYSA-N
XLogP0.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide (CID 13441948) is 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide is C=CCC1C=CCS1(=O)=O.
What is the InChIKey of 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is KADVEAOMQKHPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-2-4-7-5-3-6-10(7,8)9/h2-3,5,7H,1,4,6H2.
What are the key properties of 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide?
2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 158.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 13441948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).