ethane-1,2-dithiol

C4H12S4 — CID 87812323

IUPACethane-1,2-dithiol
SMILESSCCS.SCCS
InChIInChI=1S/2C2H6S2/c2*3-1-2-4/h2*3-4H,1-2H2
InChIKeyGVXHLXUFBFUGKE-UHFFFAOYSA-N
MW188.41 g/mol
LogP1.69
Rot. Bonds2

About ethane-1,2-dithiol

ethane-1,2-dithiol (PubChem CID 87812323) has the molecular formula C4H12S4 and a molecular weight of 188.41 g/mol. Its IUPAC name is ethane-1,2-dithiol.

Molecular Properties

Compound Nameethane-1,2-dithiol
PubChem CID87812323
Molecular FormulaC4H12S4
Molecular Weight188.41 g/mol
Exact Mass187.98
IUPAC Nameethane-1,2-dithiol
SMILESSCCS.SCCS
InChIInChI=1S/2C2H6S2/c2*3-1-2-4/h2*3-4H,1-2H2
InChIKeyGVXHLXUFBFUGKE-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.41
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-dithiol?
The IUPAC name of ethane-1,2-dithiol (CID 87812323) 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.SCCS.
What is the InChIKey of ethane-1,2-dithiol?
The InChIKey is GVXHLXUFBFUGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6S2/c2*3-1-2-4/h2*3-4H,1-2H2.
What are the key properties of ethane-1,2-dithiol?
ethane-1,2-dithiol has a molecular weight of 188.41 g/mol, XLogP of 1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-dithiol is sourced from PubChem (CID 87812323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).