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

C2H4N2OS3 — CID 88667674

IUPAC5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione
SMILESOC1SC(=S)NN1S
InChIInChI=1S/C2H4N2OS3/c5-2-4(7)3-1(6)8-2/h2,5,7H,(H,3,6)
InChIKeyKMXHRVVOGMZQMY-UHFFFAOYSA-N
MW168.27 g/mol
LogP-0.05
Rot. Bonds

About 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione

5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione (PubChem CID 88667674) has the molecular formula C2H4N2OS3 and a molecular weight of 168.27 g/mol. Its IUPAC name is 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione.

Molecular Properties

Compound Name5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione
PubChem CID88667674
Molecular FormulaC2H4N2OS3
Molecular Weight168.27 g/mol
Exact Mass167.95
IUPAC Name5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione
SMILESOC1SC(=S)NN1S
InChIInChI=1S/C2H4N2OS3/c5-2-4(7)3-1(6)8-2/h2,5,7H,(H,3,6)
InChIKeyKMXHRVVOGMZQMY-UHFFFAOYSA-N
XLogP-0.05
TPSA35.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione?
The IUPAC name of 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione (CID 88667674) is 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione.
What is the SMILES notation for 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione?
The canonical SMILES for 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione is OC1SC(=S)NN1S.
What is the InChIKey of 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione?
The InChIKey is KMXHRVVOGMZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2OS3/c5-2-4(7)3-1(6)8-2/h2,5,7H,(H,3,6).
What are the key properties of 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione?
5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione has a molecular weight of 168.27 g/mol, XLogP of -0.05, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione is sourced from PubChem (CID 88667674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).