5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione

C4H6N2S4 — CID 91298531

IUPAC5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCCS)s1
InChIInChI=1S/C4H6N2S4/c7-1-2-9-4-6-5-3(8)10-4/h7H,1-2H2,(H,5,8)
InChIKeyMVYANRGPMDKVHR-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.22
Rot. Bonds3

About 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione

5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 91298531) has the molecular formula C4H6N2S4 and a molecular weight of 210.37 g/mol. Its IUPAC name is 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID91298531
Molecular FormulaC4H6N2S4
Molecular Weight210.37 g/mol
Exact Mass209.94
IUPAC Name5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCCS)s1
InChIInChI=1S/C4H6N2S4/c7-1-2-9-4-6-5-3(8)10-4/h7H,1-2H2,(H,5,8)
InChIKeyMVYANRGPMDKVHR-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.22
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 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione (CID 91298531) is 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(SCCS)s1.
What is the InChIKey of 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is MVYANRGPMDKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S4/c7-1-2-9-4-6-5-3(8)10-4/h7H,1-2H2,(H,5,8).
What are the key properties of 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 210.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 91298531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).