2-(disulfanyl)-1,4-dioxane

C4H8O2S2 — CID 165390494

IUPAC2-(disulfanyl)-1,4-dioxane
SMILESSSC1COCCO1
InChIInChI=1S/C4H8O2S2/c7-8-4-3-5-1-2-6-4/h4,7H,1-3H2
InChIKeySNSSHZWRRKKKPS-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.94
Rot. Bonds1

About 2-(disulfanyl)-1,4-dioxane

2-(disulfanyl)-1,4-dioxane (PubChem CID 165390494) has the molecular formula C4H8O2S2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(disulfanyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(disulfanyl)-1,4-dioxane
PubChem CID165390494
Molecular FormulaC4H8O2S2
Molecular Weight152.24 g/mol
Exact Mass152.00
IUPAC Name2-(disulfanyl)-1,4-dioxane
SMILESSSC1COCCO1
InChIInChI=1S/C4H8O2S2/c7-8-4-3-5-1-2-6-4/h4,7H,1-3H2
InChIKeySNSSHZWRRKKKPS-UHFFFAOYSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
ethane;2-methyl-1,4-dioxane
CID 91216849
2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol
CID 174944550
(2-methyloxirane);oxirane
CID 173423277
18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
CID 560657
dichloro(1,4-dioxan-2-yl)borane
CID 15430968
(2S)-N-methyl-1,4-dioxan-2-amine
CID 161070139
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
CID 101026832
CID 101026832
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255
ethane;2-ethyl-1,4-dioxane
CID 170734415

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-1,4-dioxane?
The IUPAC name of 2-(disulfanyl)-1,4-dioxane (CID 165390494) is 2-(disulfanyl)-1,4-dioxane.
What is the SMILES notation for 2-(disulfanyl)-1,4-dioxane?
The canonical SMILES for 2-(disulfanyl)-1,4-dioxane is SSC1COCCO1.
What is the InChIKey of 2-(disulfanyl)-1,4-dioxane?
The InChIKey is SNSSHZWRRKKKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S2/c7-8-4-3-5-1-2-6-4/h4,7H,1-3H2.
What are the key properties of 2-(disulfanyl)-1,4-dioxane?
2-(disulfanyl)-1,4-dioxane has a molecular weight of 152.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-1,4-dioxane is sourced from PubChem (CID 165390494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).