1,2-bis(disulfanyl)ethane

C2H6S4 — CID 19833606

IUPAC1,2-bis(disulfanyl)ethane
SMILESSSCCSS
InChIInChI=1S/C2H6S4/c3-5-1-2-6-4/h3-4H,1-2H2
InChIKeyDTIJIZYPVIJNSA-UHFFFAOYSA-N
MW158.34 g/mol
LogP2.14
Rot. Bonds3

About 1,2-bis(disulfanyl)ethane

1,2-bis(disulfanyl)ethane (PubChem CID 19833606) has the molecular formula C2H6S4 and a molecular weight of 158.34 g/mol. Its IUPAC name is 1,2-bis(disulfanyl)ethane.

Molecular Properties

Compound Name1,2-bis(disulfanyl)ethane
PubChem CID19833606
Molecular FormulaC2H6S4
Molecular Weight158.34 g/mol
Exact Mass157.94
IUPAC Name1,2-bis(disulfanyl)ethane
SMILESSSCCSS
InChIInChI=1S/C2H6S4/c3-5-1-2-6-4/h3-4H,1-2H2
InChIKeyDTIJIZYPVIJNSA-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(disulfanyl)ethane?
The IUPAC name of 1,2-bis(disulfanyl)ethane (CID 19833606) is 1,2-bis(disulfanyl)ethane.
What is the SMILES notation for 1,2-bis(disulfanyl)ethane?
The canonical SMILES for 1,2-bis(disulfanyl)ethane is SSCCSS.
What is the InChIKey of 1,2-bis(disulfanyl)ethane?
The InChIKey is DTIJIZYPVIJNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S4/c3-5-1-2-6-4/h3-4H,1-2H2.
What are the key properties of 1,2-bis(disulfanyl)ethane?
1,2-bis(disulfanyl)ethane has a molecular weight of 158.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(disulfanyl)ethane is sourced from PubChem (CID 19833606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).