5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one

C7H12O2S2 — CID 19378142

IUPAC5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one
SMILESO=C1OC(CCS)CC1CS
InChIInChI=1S/C7H12O2S2/c8-7-5(4-11)3-6(9-7)1-2-10/h5-6,10-11H,1-4H2
InChIKeySZOSENWZSDNDAI-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.17
Rot. Bonds3

About 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one

5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one (PubChem CID 19378142) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one
PubChem CID19378142
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one
SMILESO=C1OC(CCS)CC1CS
InChIInChI=1S/C7H12O2S2/c8-7-5(4-11)3-6(9-7)1-2-10/h5-6,10-11H,1-4H2
InChIKeySZOSENWZSDNDAI-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one?
The IUPAC name of 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one (CID 19378142) is 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one.
What is the SMILES notation for 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one?
The canonical SMILES for 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one is O=C1OC(CCS)CC1CS.
What is the InChIKey of 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one?
The InChIKey is SZOSENWZSDNDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c8-7-5(4-11)3-6(9-7)1-2-10/h5-6,10-11H,1-4H2.
What are the key properties of 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one?
5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one has a molecular weight of 192.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 19378142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).