dithiine

C4H4S2 — CID 12044565

IUPACdithiine
SMILESC1=CSSC=C1
InChIInChI=1S/C4H4S2/c1-2-4-6-5-3-1/h1-4H
InChIKeyRIYVKHUVXPAOPS-UHFFFAOYSA-N
MW116.21 g/mol
LogP2.41
Rot. Bonds

About dithiine

dithiine (PubChem CID 12044565) has the molecular formula C4H4S2 and a molecular weight of 116.21 g/mol. Its IUPAC name is dithiine.

Molecular Properties

Compound Namedithiine
PubChem CID12044565
Molecular FormulaC4H4S2
Molecular Weight116.21 g/mol
Exact Mass115.98
IUPAC Namedithiine
SMILESC1=CSSC=C1
InChIInChI=1S/C4H4S2/c1-2-4-6-5-3-1/h1-4H
InChIKeyRIYVKHUVXPAOPS-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dithiine?
The IUPAC name of dithiine (CID 12044565) is dithiine.
What is the SMILES notation for dithiine?
The canonical SMILES for dithiine is C1=CSSC=C1.
What is the InChIKey of dithiine?
The InChIKey is RIYVKHUVXPAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S2/c1-2-4-6-5-3-1/h1-4H.
What are the key properties of dithiine?
dithiine has a molecular weight of 116.21 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dithiine is sourced from PubChem (CID 12044565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).