2,2-bis(sulfanyl)ethanedithioic acid

C2H4S4 — CID 57299651

IUPAC2,2-bis(sulfanyl)ethanedithioic acid
SMILESS=C(S)C(S)S
InChIInChI=1S/C2H4S4/c3-1(4)2(5)6/h1,3-4H,(H,5,6)
InChIKeyVPZCBRBKVQFMSI-UHFFFAOYSA-N
MW156.32 g/mol
LogP1.43
Rot. Bonds1

About 2,2-bis(sulfanyl)ethanedithioic acid

2,2-bis(sulfanyl)ethanedithioic acid (PubChem CID 57299651) has the molecular formula C2H4S4 and a molecular weight of 156.32 g/mol. Its IUPAC name is 2,2-bis(sulfanyl)ethanedithioic acid.

Molecular Properties

Compound Name2,2-bis(sulfanyl)ethanedithioic acid
PubChem CID57299651
Molecular FormulaC2H4S4
Molecular Weight156.32 g/mol
Exact Mass155.92
IUPAC Name2,2-bis(sulfanyl)ethanedithioic acid
SMILESS=C(S)C(S)S
InChIInChI=1S/C2H4S4/c3-1(4)2(5)6/h1,3-4H,(H,5,6)
InChIKeyVPZCBRBKVQFMSI-UHFFFAOYSA-N
XLogP1.43
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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
3-Sulfanylpropanethial
CID 21662175
2-Mercaptoethanethial
CID 54440841
Ethane-1,1,2,2-tetrathiol
CID 5257129
2-Sulfanylethanedithioic acid
CID 19695611
1,2-Bis(disulfanyl)ethane
CID 19833606
3-(Disulfanyl)propanedithioic acid
CID 21197306
Ethane-1,1,2-trithiol
CID 21987752
2-(Disulfanyl)ethanedithioic acid
CID 22250987
Ethane-1,1,1,2-tetrathiol
CID 54140867
2-(Disulfanyl)ethanethial
CID 54549037
2-(Disulfanyl)ethanethiol
CID 85547908

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(sulfanyl)ethanedithioic acid?
The IUPAC name of 2,2-bis(sulfanyl)ethanedithioic acid (CID 57299651) is 2,2-bis(sulfanyl)ethanedithioic acid.
What is the SMILES notation for 2,2-bis(sulfanyl)ethanedithioic acid?
The canonical SMILES for 2,2-bis(sulfanyl)ethanedithioic acid is S=C(S)C(S)S.
What is the InChIKey of 2,2-bis(sulfanyl)ethanedithioic acid?
The InChIKey is VPZCBRBKVQFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S4/c3-1(4)2(5)6/h1,3-4H,(H,5,6).
What are the key properties of 2,2-bis(sulfanyl)ethanedithioic acid?
2,2-bis(sulfanyl)ethanedithioic acid has a molecular weight of 156.32 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(sulfanyl)ethanedithioic acid is sourced from PubChem (CID 57299651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).