3-ethenyl-3-methylthiolane 1,1-dioxide

C7H12O2S — CID 162359414

IUPAC3-ethenyl-3-methylthiolane 1,1-dioxide
SMILESC=CC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S/c1-3-7(2)4-5-10(8,9)6-7/h3H,1,4-6H2,2H3
InChIKeyQGYBMOIRJFLKHM-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.00
Rot. Bonds1

About 3-ethenyl-3-methylthiolane 1,1-dioxide

3-ethenyl-3-methylthiolane 1,1-dioxide (PubChem CID 162359414) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-ethenyl-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-ethenyl-3-methylthiolane 1,1-dioxide
PubChem CID162359414
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name3-ethenyl-3-methylthiolane 1,1-dioxide
SMILESC=CC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S/c1-3-7(2)4-5-10(8,9)6-7/h3H,1,4-6H2,2H3
InChIKeyQGYBMOIRJFLKHM-UHFFFAOYSA-N
XLogP1.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.00
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

3-(ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059068
N-(3-methyl-1,1-dioxothiolan-3-yl)-N-prop-2-enylformamide
CID 102566594
N-hept-6-enyl-3-methyl-1,1-dioxothiolan-3-amine
CID 107006740
N-[(E)-but-2-enyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103608632
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203
4-methyl-1,1-dioxothian-4-ol
CID 58387715
4-methyl-1,1-dioxothian-4-amine
CID 58641892

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methylthiolane 1,1-dioxide?
The IUPAC name of 3-ethenyl-3-methylthiolane 1,1-dioxide (CID 162359414) is 3-ethenyl-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 3-ethenyl-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 3-ethenyl-3-methylthiolane 1,1-dioxide is C=CC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-ethenyl-3-methylthiolane 1,1-dioxide?
The InChIKey is QGYBMOIRJFLKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-7(2)4-5-10(8,9)6-7/h3H,1,4-6H2,2H3.
What are the key properties of 3-ethenyl-3-methylthiolane 1,1-dioxide?
3-ethenyl-3-methylthiolane 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 162359414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).