3,4-bis(sulfanyl)oxolan-2-one

C4H6O2S2 — CID 87332773

IUPAC3,4-bis(sulfanyl)oxolan-2-one
SMILESO=C1OCC(S)C1S
InChIInChI=1S/C4H6O2S2/c5-4-3(8)2(7)1-6-4/h2-3,7-8H,1H2
InChIKeySYWTVQYXXCXVSX-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.14
Rot. Bonds

About 3,4-bis(sulfanyl)oxolan-2-one

3,4-bis(sulfanyl)oxolan-2-one (PubChem CID 87332773) has the molecular formula C4H6O2S2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,4-bis(sulfanyl)oxolan-2-one.

Molecular Properties

Compound Name3,4-bis(sulfanyl)oxolan-2-one
PubChem CID87332773
Molecular FormulaC4H6O2S2
Molecular Weight150.22 g/mol
Exact Mass149.98
IUPAC Name3,4-bis(sulfanyl)oxolan-2-one
SMILESO=C1OCC(S)C1S
InChIInChI=1S/C4H6O2S2/c5-4-3(8)2(7)1-6-4/h2-3,7-8H,1H2
InChIKeySYWTVQYXXCXVSX-UHFFFAOYSA-N
XLogP0.14
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.14
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

(3R,4S,5R,6R)-4,5,6-trihydroxy-3-sulfanyloxepan-2-one
CID 89253142
(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
CID 10329310
3,4-dimethyloxolan-2-one
CID 15090448
(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 14557073
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
3-methyl-4-(2-sulfanylethyl)oxolan-2-one
CID 170072101
CID 167346588
CID 167346588
(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
CID 131176048
(3R,5R)-3,5-dimethyloxan-2-one
CID 12759371
(1S,5S)-3,6,8-trioxabicyclo[3.2.1]octan-2-one
CID 11819103
3-(2-methylpropyl)oxetan-2-one
CID 23090013
(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951610

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(sulfanyl)oxolan-2-one?
The IUPAC name of 3,4-bis(sulfanyl)oxolan-2-one (CID 87332773) is 3,4-bis(sulfanyl)oxolan-2-one.
What is the SMILES notation for 3,4-bis(sulfanyl)oxolan-2-one?
The canonical SMILES for 3,4-bis(sulfanyl)oxolan-2-one is O=C1OCC(S)C1S.
What is the InChIKey of 3,4-bis(sulfanyl)oxolan-2-one?
The InChIKey is SYWTVQYXXCXVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S2/c5-4-3(8)2(7)1-6-4/h2-3,7-8H,1H2.
What are the key properties of 3,4-bis(sulfanyl)oxolan-2-one?
3,4-bis(sulfanyl)oxolan-2-one has a molecular weight of 150.22 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(sulfanyl)oxolan-2-one is sourced from PubChem (CID 87332773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).