4,5-bis(sulfanyl)-1,3-dithiolane-2-thione

C3H4S5 — CID 12048282

IUPAC4,5-bis(sulfanyl)-1,3-dithiolane-2-thione
SMILESS=C1SC(S)C(S)S1
InChIInChI=1S/C3H4S5/c4-1-2(5)8-3(6)7-1/h1-2,4-5H
InChIKeySKSSCRKBIMOJGO-UHFFFAOYSA-N
MW200.40 g/mol
LogP2.26
Rot. Bonds

About 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione

4,5-bis(sulfanyl)-1,3-dithiolane-2-thione (PubChem CID 12048282) has the molecular formula C3H4S5 and a molecular weight of 200.40 g/mol. Its IUPAC name is 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione.

Molecular Properties

Compound Name4,5-bis(sulfanyl)-1,3-dithiolane-2-thione
PubChem CID12048282
Molecular FormulaC3H4S5
Molecular Weight200.40 g/mol
Exact Mass199.89
IUPAC Name4,5-bis(sulfanyl)-1,3-dithiolane-2-thione
SMILESS=C1SC(S)C(S)S1
InChIInChI=1S/C3H4S5/c4-1-2(5)8-3(6)7-1/h1-2,4-5H
InChIKeySKSSCRKBIMOJGO-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione?
The IUPAC name of 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione (CID 12048282) is 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione.
What is the SMILES notation for 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione?
The canonical SMILES for 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione is S=C1SC(S)C(S)S1.
What is the InChIKey of 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione?
The InChIKey is SKSSCRKBIMOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4S5/c4-1-2(5)8-3(6)7-1/h1-2,4-5H.
What are the key properties of 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione?
4,5-bis(sulfanyl)-1,3-dithiolane-2-thione has a molecular weight of 200.40 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(sulfanyl)-1,3-dithiolane-2-thione is sourced from PubChem (CID 12048282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).