ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane

C4H12O2S2 — CID 87406523

IUPACethyl-ethylsulfanyl-dihydroxy-λ4-sulfane
SMILESCCSS(O)(O)CC
InChIInChI=1S/C4H12O2S2/c1-3-7-8(5,6)4-2/h5-6H,3-4H2,1-2H3
InChIKeyVHCHJXIDKWZPRB-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.42
Rot. Bonds3

About ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane

ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane (PubChem CID 87406523) has the molecular formula C4H12O2S2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane.

Molecular Properties

Compound Nameethyl-ethylsulfanyl-dihydroxy-λ4-sulfane
PubChem CID87406523
Molecular FormulaC4H12O2S2
Molecular Weight156.27 g/mol
Exact Mass156.03
IUPAC Nameethyl-ethylsulfanyl-dihydroxy-λ4-sulfane
SMILESCCSS(O)(O)CC
InChIInChI=1S/C4H12O2S2/c1-3-7-8(5,6)4-2/h5-6H,3-4H2,1-2H3
InChIKeyVHCHJXIDKWZPRB-UHFFFAOYSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane?
The IUPAC name of ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane (CID 87406523) is ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane.
What is the SMILES notation for ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane?
The canonical SMILES for ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane is CCSS(O)(O)CC.
What is the InChIKey of ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane?
The InChIKey is VHCHJXIDKWZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2S2/c1-3-7-8(5,6)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane?
ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane has a molecular weight of 156.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylsulfanyl-dihydroxy-λ4-sulfane is sourced from PubChem (CID 87406523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).