1-cyclopentyl-2H-tetrazole-5-thione

C6H10N4S — CID 729454

IUPAC1-cyclopentyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCCC1
InChIInChI=1S/C6H10N4S/c11-6-7-8-9-10(6)5-3-1-2-4-5/h5H,1-4H2,(H,7,9,11)
InChIKeyQAKFYVPOKBWZRH-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.45
Rot. Bonds1

About 1-cyclopentyl-2H-tetrazole-5-thione

1-cyclopentyl-2H-tetrazole-5-thione (PubChem CID 729454) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-cyclopentyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-cyclopentyl-2H-tetrazole-5-thione
PubChem CID729454
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name1-cyclopentyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCCC1
InChIInChI=1S/C6H10N4S/c11-6-7-8-9-10(6)5-3-1-2-4-5/h5H,1-4H2,(H,7,9,11)
InChIKeyQAKFYVPOKBWZRH-UHFFFAOYSA-N
XLogP1.45
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.45
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 1-cyclopentyl-2H-tetrazole-5-thione?
The IUPAC name of 1-cyclopentyl-2H-tetrazole-5-thione (CID 729454) is 1-cyclopentyl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-cyclopentyl-2H-tetrazole-5-thione?
The canonical SMILES for 1-cyclopentyl-2H-tetrazole-5-thione is S=c1nn[nH]n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2H-tetrazole-5-thione?
The InChIKey is QAKFYVPOKBWZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c11-6-7-8-9-10(6)5-3-1-2-4-5/h5H,1-4H2,(H,7,9,11).
What are the key properties of 1-cyclopentyl-2H-tetrazole-5-thione?
1-cyclopentyl-2H-tetrazole-5-thione has a molecular weight of 170.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2H-tetrazole-5-thione is sourced from PubChem (CID 729454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).