ethane-1,2-dithiol

C2H6S2 — CID 10902

IUPACethane-1,2-dithiol
SMILESSCCS
InChIInChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
InChIKeyVYMPLPIFKRHAAC-UHFFFAOYSA-N
MW94.20 g/mol
LogP0.85
Rot. Bonds1

About ethane-1,2-dithiol

ethane-1,2-dithiol (PubChem CID 10902) has the molecular formula C2H6S2 and a molecular weight of 94.20 g/mol. Its IUPAC name is ethane-1,2-dithiol.

Molecular Properties

Compound Nameethane-1,2-dithiol
PubChem CID10902
Molecular FormulaC2H6S2
Molecular Weight94.20 g/mol
Exact Mass93.99
IUPAC Nameethane-1,2-dithiol
SMILESSCCS
InChIInChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
InChIKeyVYMPLPIFKRHAAC-UHFFFAOYSA-N
XLogP0.85
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanedithiol
CID 8013
1,1-Ethanedithiol
CID 33645
1,2,3-Propanetrithiol
CID 78495
Tristhioethylene
CID 13198783
3-Trimercaptopropan
CID 21251759
3-Sulfanylpropanethial
CID 21662175
2-Mercaptoethanethial
CID 54440841
2,2-Bis(sulfanyl)ethanedithioic acid
CID 57299651
2-Sulfanylethyl thiohypofluorite
CID 59067995
2,3-Dimercaptopropane-1-sodium
CID 129674800
CID 134833032
CID 134833032
Sodium ethane-1,2-dithiol
CID 54604412

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-dithiol?
The IUPAC name of ethane-1,2-dithiol (CID 10902) is ethane-1,2-dithiol.
What is the SMILES notation for ethane-1,2-dithiol?
The canonical SMILES for ethane-1,2-dithiol is SCCS.
What is the InChIKey of ethane-1,2-dithiol?
The InChIKey is VYMPLPIFKRHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2.
What are the key properties of ethane-1,2-dithiol?
ethane-1,2-dithiol has a molecular weight of 94.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-dithiol is sourced from PubChem (CID 10902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).