3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one

C10H18O2S2 — CID 19378079

IUPAC3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one
SMILESCCC(S)(CC)C1CC(CS)C(=O)O1
InChIInChI=1S/C10H18O2S2/c1-3-10(14,4-2)8-5-7(6-13)9(11)12-8/h7-8,13-14H,3-6H2,1-2H3
InChIKeyDYKOOEKMNFNTSC-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.34
Rot. Bonds4

About 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one

3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one (PubChem CID 19378079) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one
PubChem CID19378079
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one
SMILESCCC(S)(CC)C1CC(CS)C(=O)O1
InChIInChI=1S/C10H18O2S2/c1-3-10(14,4-2)8-5-7(6-13)9(11)12-8/h7-8,13-14H,3-6H2,1-2H3
InChIKeyDYKOOEKMNFNTSC-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.34
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 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one?
The IUPAC name of 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one (CID 19378079) is 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one.
What is the SMILES notation for 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one?
The canonical SMILES for 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one is CCC(S)(CC)C1CC(CS)C(=O)O1.
What is the InChIKey of 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one?
The InChIKey is DYKOOEKMNFNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-3-10(14,4-2)8-5-7(6-13)9(11)12-8/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one?
3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one has a molecular weight of 234.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylmethyl)-5-(3-sulfanylpentan-3-yl)oxolan-2-one is sourced from PubChem (CID 19378079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).