4-sulfanyl-1,2,4-thiadiazolidine-3-thione

C2H4N2S3 — CID 87211841

IUPAC4-sulfanyl-1,2,4-thiadiazolidine-3-thione
SMILESS=C1NSCN1S
InChIInChI=1S/C2H4N2S3/c5-2-3-7-1-4(2)6/h6H,1H2,(H,3,5)
InChIKeyWFSLYUMPRMWOIM-UHFFFAOYSA-N
MW152.27 g/mol
LogP0.63
Rot. Bonds

About 4-sulfanyl-1,2,4-thiadiazolidine-3-thione

4-sulfanyl-1,2,4-thiadiazolidine-3-thione (PubChem CID 87211841) has the molecular formula C2H4N2S3 and a molecular weight of 152.27 g/mol. Its IUPAC name is 4-sulfanyl-1,2,4-thiadiazolidine-3-thione.

Molecular Properties

Compound Name4-sulfanyl-1,2,4-thiadiazolidine-3-thione
PubChem CID87211841
Molecular FormulaC2H4N2S3
Molecular Weight152.27 g/mol
Exact Mass151.95
IUPAC Name4-sulfanyl-1,2,4-thiadiazolidine-3-thione
SMILESS=C1NSCN1S
InChIInChI=1S/C2H4N2S3/c5-2-3-7-1-4(2)6/h6H,1H2,(H,3,5)
InChIKeyWFSLYUMPRMWOIM-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'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-sulfanyl-1,2,4-thiadiazolidine-3-thione?
The IUPAC name of 4-sulfanyl-1,2,4-thiadiazolidine-3-thione (CID 87211841) is 4-sulfanyl-1,2,4-thiadiazolidine-3-thione.
What is the SMILES notation for 4-sulfanyl-1,2,4-thiadiazolidine-3-thione?
The canonical SMILES for 4-sulfanyl-1,2,4-thiadiazolidine-3-thione is S=C1NSCN1S.
What is the InChIKey of 4-sulfanyl-1,2,4-thiadiazolidine-3-thione?
The InChIKey is WFSLYUMPRMWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2S3/c5-2-3-7-1-4(2)6/h6H,1H2,(H,3,5).
What are the key properties of 4-sulfanyl-1,2,4-thiadiazolidine-3-thione?
4-sulfanyl-1,2,4-thiadiazolidine-3-thione has a molecular weight of 152.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-1,2,4-thiadiazolidine-3-thione is sourced from PubChem (CID 87211841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).