2-(disulfanyl)ethanethial

C2H4S3 — CID 54549037

IUPAC2-(disulfanyl)ethanethial
SMILESS=CCSS
InChIInChI=1S/C2H4S3/c3-1-2-5-4/h1,4H,2H2
InChIKeyZIPMIHFFQFTRGX-UHFFFAOYSA-N
MW124.25 g/mol
LogP1.56
Rot. Bonds2

About 2-(disulfanyl)ethanethial

2-(disulfanyl)ethanethial (PubChem CID 54549037) has the molecular formula C2H4S3 and a molecular weight of 124.25 g/mol. Its IUPAC name is 2-(disulfanyl)ethanethial.

Molecular Properties

Compound Name2-(disulfanyl)ethanethial
PubChem CID54549037
Molecular FormulaC2H4S3
Molecular Weight124.25 g/mol
Exact Mass123.95
IUPAC Name2-(disulfanyl)ethanethial
SMILESS=CCSS
InChIInChI=1S/C2H4S3/c3-1-2-5-4/h1,4H,2H2
InChIKeyZIPMIHFFQFTRGX-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethanedithial
CID 12422351
3-Sulfanylpropanethial
CID 21662175
Propanedithial
CID 21909108
2-Mercaptoethanethial
CID 54440841
2,2-Bis(sulfanyl)ethanedithioic acid
CID 57299651
2-Dithiole-2-thione
CID 129777342
2-Sulfanylethanedithioic acid
CID 19695611
2-(Disulfanyl)ethanedithioic acid
CID 22250987
2-Sulfanylidenepropanethial
CID 22418673
Butanedithial
CID 22501640
Ethane-1,2-dithiolate
CID 22937149
2-Sulfanylidenebutanedithial
CID 54467830

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)ethanethial?
The IUPAC name of 2-(disulfanyl)ethanethial (CID 54549037) is 2-(disulfanyl)ethanethial.
What is the SMILES notation for 2-(disulfanyl)ethanethial?
The canonical SMILES for 2-(disulfanyl)ethanethial is S=CCSS.
What is the InChIKey of 2-(disulfanyl)ethanethial?
The InChIKey is ZIPMIHFFQFTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S3/c3-1-2-5-4/h1,4H,2H2.
What are the key properties of 2-(disulfanyl)ethanethial?
2-(disulfanyl)ethanethial has a molecular weight of 124.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)ethanethial is sourced from PubChem (CID 54549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).