ethyl-sulfanyl-sulfanylidene-λ4-sulfane

C2H6S3 — CID 57115276

IUPACethyl-sulfanyl-sulfanylidene-λ4-sulfane
SMILESCCS(=S)S
InChIInChI=1S/C2H6S3/c1-2-5(3)4/h2H2,1H3,(H,3,4)
InChIKeyJTQOTCQCAKKNCK-UHFFFAOYSA-N
MW126.27 g/mol
LogP0.93
Rot. Bonds1

About ethyl-sulfanyl-sulfanylidene-λ4-sulfane

ethyl-sulfanyl-sulfanylidene-λ4-sulfane (PubChem CID 57115276) has the molecular formula C2H6S3 and a molecular weight of 126.27 g/mol. Its IUPAC name is ethyl-sulfanyl-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Nameethyl-sulfanyl-sulfanylidene-λ4-sulfane
PubChem CID57115276
Molecular FormulaC2H6S3
Molecular Weight126.27 g/mol
Exact Mass125.96
IUPAC Nameethyl-sulfanyl-sulfanylidene-λ4-sulfane
SMILESCCS(=S)S
InChIInChI=1S/C2H6S3/c1-2-5(3)4/h2H2,1H3,(H,3,4)
InChIKeyJTQOTCQCAKKNCK-UHFFFAOYSA-N
XLogP0.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-sulfanyl-sulfanylidene-λ4-sulfane?
The IUPAC name of ethyl-sulfanyl-sulfanylidene-λ4-sulfane (CID 57115276) is ethyl-sulfanyl-sulfanylidene-λ4-sulfane.
What is the SMILES notation for ethyl-sulfanyl-sulfanylidene-λ4-sulfane?
The canonical SMILES for ethyl-sulfanyl-sulfanylidene-λ4-sulfane is CCS(=S)S.
What is the InChIKey of ethyl-sulfanyl-sulfanylidene-λ4-sulfane?
The InChIKey is JTQOTCQCAKKNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S3/c1-2-5(3)4/h2H2,1H3,(H,3,4).
What are the key properties of ethyl-sulfanyl-sulfanylidene-λ4-sulfane?
ethyl-sulfanyl-sulfanylidene-λ4-sulfane has a molecular weight of 126.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-sulfanyl-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 57115276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).