ethane-1,1,2,2-tetrathiol

C2H6S4 — CID 5257129

IUPACethane-1,1,2,2-tetrathiol
SMILESSC(S)C(S)S
InChIInChI=1S/C2H6S4/c3-1(4)2(5)6/h1-6H
InChIKeyIXHOLQLYMHEFDO-UHFFFAOYSA-N
MW158.34 g/mol
LogP1.36
Rot. Bonds1

About ethane-1,1,2,2-tetrathiol

ethane-1,1,2,2-tetrathiol (PubChem CID 5257129) has the molecular formula C2H6S4 and a molecular weight of 158.34 g/mol. Its IUPAC name is ethane-1,1,2,2-tetrathiol.

Molecular Properties

Compound Nameethane-1,1,2,2-tetrathiol
PubChem CID5257129
Molecular FormulaC2H6S4
Molecular Weight158.34 g/mol
Exact Mass157.94
IUPAC Nameethane-1,1,2,2-tetrathiol
SMILESSC(S)C(S)S
InChIInChI=1S/C2H6S4/c3-1(4)2(5)6/h1-6H
InChIKeyIXHOLQLYMHEFDO-UHFFFAOYSA-N
XLogP1.36
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.34
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,1,2,2-tetrathiol?
The IUPAC name of ethane-1,1,2,2-tetrathiol (CID 5257129) is ethane-1,1,2,2-tetrathiol.
What is the SMILES notation for ethane-1,1,2,2-tetrathiol?
The canonical SMILES for ethane-1,1,2,2-tetrathiol is SC(S)C(S)S.
What is the InChIKey of ethane-1,1,2,2-tetrathiol?
The InChIKey is IXHOLQLYMHEFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S4/c3-1(4)2(5)6/h1-6H.
What are the key properties of ethane-1,1,2,2-tetrathiol?
ethane-1,1,2,2-tetrathiol has a molecular weight of 158.34 g/mol, XLogP of 1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1,2,2-tetrathiol is sourced from PubChem (CID 5257129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).