2-(disulfanyl)-1,4-dithiane

C4H8S4 — CID 141018303

IUPAC2-(disulfanyl)-1,4-dithiane
SMILESSSC1CSCCS1
InChIInChI=1S/C4H8S4/c5-8-4-3-6-1-2-7-4/h4-5H,1-3H2
InChIKeyDSORKJNRTLAKTR-UHFFFAOYSA-N
MW184.38 g/mol
LogP2.37
Rot. Bonds1

About 2-(disulfanyl)-1,4-dithiane

2-(disulfanyl)-1,4-dithiane (PubChem CID 141018303) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 2-(disulfanyl)-1,4-dithiane.

Molecular Properties

Compound Name2-(disulfanyl)-1,4-dithiane
PubChem CID141018303
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name2-(disulfanyl)-1,4-dithiane
SMILESSSC1CSCCS1
InChIInChI=1S/C4H8S4/c5-8-4-3-6-1-2-7-4/h4-5H,1-3H2
InChIKeyDSORKJNRTLAKTR-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(disulfanyl)-1,4-dithiane?
The IUPAC name of 2-(disulfanyl)-1,4-dithiane (CID 141018303) is 2-(disulfanyl)-1,4-dithiane.
What is the SMILES notation for 2-(disulfanyl)-1,4-dithiane?
The canonical SMILES for 2-(disulfanyl)-1,4-dithiane is SSC1CSCCS1.
What is the InChIKey of 2-(disulfanyl)-1,4-dithiane?
The InChIKey is DSORKJNRTLAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c5-8-4-3-6-1-2-7-4/h4-5H,1-3H2.
What are the key properties of 2-(disulfanyl)-1,4-dithiane?
2-(disulfanyl)-1,4-dithiane has a molecular weight of 184.38 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-1,4-dithiane is sourced from PubChem (CID 141018303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).