5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione

C7H10N2S3 — CID 1479867

IUPAC5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SC2CCCC2)s1
InChIInChI=1S/C7H10N2S3/c10-6-8-9-7(12-6)11-5-3-1-2-4-5/h5H,1-4H2,(H,8,10)
InChIKeyZYMSWMCWKMPJQW-UHFFFAOYSA-N
MW218.37 g/mol
LogP3.24
Rot. Bonds2

About 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione

5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione (PubChem CID 1479867) has the molecular formula C7H10N2S3 and a molecular weight of 218.37 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione
PubChem CID1479867
Molecular FormulaC7H10N2S3
Molecular Weight218.37 g/mol
Exact Mass218.00
IUPAC Name5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SC2CCCC2)s1
InChIInChI=1S/C7H10N2S3/c10-6-8-9-7(12-6)11-5-3-1-2-4-5/h5H,1-4H2,(H,8,10)
InChIKeyZYMSWMCWKMPJQW-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione (CID 1479867) is 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(SC2CCCC2)s1.
What is the InChIKey of 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is ZYMSWMCWKMPJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S3/c10-6-8-9-7(12-6)11-5-3-1-2-4-5/h5H,1-4H2,(H,8,10).
What are the key properties of 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 218.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 1479867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).