2-sulfanylethanedithioic acid

C2H4S3 — CID 19695611

IUPAC2-sulfanylethanedithioic acid
SMILESS=C(S)CS
InChIInChI=1S/C2H4S3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKeyWUQPGGZLFRRHIB-UHFFFAOYSA-N
MW124.25 g/mol
LogP1.17
Rot. Bonds1

About 2-sulfanylethanedithioic acid

2-sulfanylethanedithioic acid (PubChem CID 19695611) has the molecular formula C2H4S3 and a molecular weight of 124.25 g/mol. Its IUPAC name is 2-sulfanylethanedithioic acid.

Molecular Properties

Compound Name2-sulfanylethanedithioic acid
PubChem CID19695611
Molecular FormulaC2H4S3
Molecular Weight124.25 g/mol
Exact Mass123.95
IUPAC Name2-sulfanylethanedithioic acid
SMILESS=C(S)CS
InChIInChI=1S/C2H4S3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKeyWUQPGGZLFRRHIB-UHFFFAOYSA-N
XLogP1.17
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Ethanedithiol
CID 10902
1,1-Ethanedithiol
CID 33645
3-Sulfanylpropanethial
CID 21662175
Propanedithial
CID 21909108
2-Mercaptoethanethial
CID 54440841
2,2-Bis(sulfanyl)ethanedithioic acid
CID 57299651
Ethylidenesulfanium
CID 85823146
CID 134833032
CID 134833032
Sodium ethane-1,2-dithiol
CID 54604412
Ethane-1,1,2,2-tetrathiol
CID 5257129
2-Sulfanylpropanethial
CID 18419942
3-(Disulfanyl)propanedithioic acid
CID 21197306

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethanedithioic acid?
The IUPAC name of 2-sulfanylethanedithioic acid (CID 19695611) is 2-sulfanylethanedithioic acid.
What is the SMILES notation for 2-sulfanylethanedithioic acid?
The canonical SMILES for 2-sulfanylethanedithioic acid is S=C(S)CS.
What is the InChIKey of 2-sulfanylethanedithioic acid?
The InChIKey is WUQPGGZLFRRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S3/c3-1-2(4)5/h3H,1H2,(H,4,5).
What are the key properties of 2-sulfanylethanedithioic acid?
2-sulfanylethanedithioic acid has a molecular weight of 124.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethanedithioic acid is sourced from PubChem (CID 19695611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).