5,5-bis(sulfanylmethyl)oxolan-2-one

C6H10O2S2 — CID 139621524

IUPAC5,5-bis(sulfanylmethyl)oxolan-2-one
SMILESO=C1CCC(CS)(CS)O1
InChIInChI=1S/C6H10O2S2/c7-5-1-2-6(3-9,4-10)8-5/h9-10H,1-4H2
InChIKeyVHAZYBYWMOWARF-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.92
Rot. Bonds2

About 5,5-bis(sulfanylmethyl)oxolan-2-one

5,5-bis(sulfanylmethyl)oxolan-2-one (PubChem CID 139621524) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5,5-bis(sulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5,5-bis(sulfanylmethyl)oxolan-2-one
PubChem CID139621524
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name5,5-bis(sulfanylmethyl)oxolan-2-one
SMILESO=C1CCC(CS)(CS)O1
InChIInChI=1S/C6H10O2S2/c7-5-1-2-6(3-9,4-10)8-5/h9-10H,1-4H2
InChIKeyVHAZYBYWMOWARF-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-5-(hydroxymethyl)oxolan-2-one
CID 23256316
(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one
CID 125477000
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717
6,6-dibutyloxan-2-one
CID 10822452
5-iodo-5-methyloxolan-2-one
CID 129281770
(3S)-1,7-dioxa-2-thiaspiro[2.4]heptan-6-one
CID 176528836
[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 155395441
[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate
CID 155395409
5-ethenyl-5-propyloxolan-2-one
CID 103439870
5,5-bis(methylamino)oxolan-2-one
CID 55287730
1-oxaspiro[4.4]nonane-2,8-dione
CID 68731112
2-(aminomethyl)-5-oxooxolane-2-carboxylic acid
CID 121226698

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(sulfanylmethyl)oxolan-2-one?
The IUPAC name of 5,5-bis(sulfanylmethyl)oxolan-2-one (CID 139621524) is 5,5-bis(sulfanylmethyl)oxolan-2-one.
What is the SMILES notation for 5,5-bis(sulfanylmethyl)oxolan-2-one?
The canonical SMILES for 5,5-bis(sulfanylmethyl)oxolan-2-one is O=C1CCC(CS)(CS)O1.
What is the InChIKey of 5,5-bis(sulfanylmethyl)oxolan-2-one?
The InChIKey is VHAZYBYWMOWARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c7-5-1-2-6(3-9,4-10)8-5/h9-10H,1-4H2.
What are the key properties of 5,5-bis(sulfanylmethyl)oxolan-2-one?
5,5-bis(sulfanylmethyl)oxolan-2-one has a molecular weight of 178.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(sulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 139621524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).