3-prop-2-enylsulfanylthiolane 1,1-dioxide

C7H12O2S2 — CID 3771616

IUPAC3-prop-2-enylsulfanylthiolane 1,1-dioxide
SMILESC=CCSC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S2/c1-2-4-10-7-3-5-11(8,9)6-7/h2,7H,1,3-6H2
InChIKeyRIPUIQHLEBVXBW-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.09
Rot. Bonds3

About 3-prop-2-enylsulfanylthiolane 1,1-dioxide

3-prop-2-enylsulfanylthiolane 1,1-dioxide (PubChem CID 3771616) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-prop-2-enylsulfanylthiolane 1,1-dioxide
PubChem CID3771616
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name3-prop-2-enylsulfanylthiolane 1,1-dioxide
SMILESC=CCSC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S2/c1-2-4-10-7-3-5-11(8,9)6-7/h2,7H,1,3-6H2
InChIKeyRIPUIQHLEBVXBW-UHFFFAOYSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 60667109
1-(azocan-1-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylethanone
CID 95572289
(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830
(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
CID 98143387
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
prop-2-enyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate
CID 3784415
3-prop-2-enylperoxythiolane 1,1-dioxide
CID 135235402
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
3-cyclohexylsulfanylthiolane 1,1-dioxide
CID 83381402

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylthiolane 1,1-dioxide?
The IUPAC name of 3-prop-2-enylsulfanylthiolane 1,1-dioxide (CID 3771616) is 3-prop-2-enylsulfanylthiolane 1,1-dioxide.
What is the SMILES notation for 3-prop-2-enylsulfanylthiolane 1,1-dioxide?
The canonical SMILES for 3-prop-2-enylsulfanylthiolane 1,1-dioxide is C=CCSC1CCS(=O)(=O)C1.
What is the InChIKey of 3-prop-2-enylsulfanylthiolane 1,1-dioxide?
The InChIKey is RIPUIQHLEBVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-2-4-10-7-3-5-11(8,9)6-7/h2,7H,1,3-6H2.
What are the key properties of 3-prop-2-enylsulfanylthiolane 1,1-dioxide?
3-prop-2-enylsulfanylthiolane 1,1-dioxide has a molecular weight of 192.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylthiolane 1,1-dioxide is sourced from PubChem (CID 3771616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).