1-(2-cyclopentylethyl)-2H-tetrazole-5-thione

C8H14N4S — CID 60919956

IUPAC1-(2-cyclopentylethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CCC1CCCC1
InChIInChI=1S/C8H14N4S/c13-8-9-10-11-12(8)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,11,13)
InChIKeyPRGJLNYMPWDQSQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione

1-(2-cyclopentylethyl)-2H-tetrazole-5-thione (PubChem CID 60919956) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-2H-tetrazole-5-thione
PubChem CID60919956
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-(2-cyclopentylethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CCC1CCCC1
InChIInChI=1S/C8H14N4S/c13-8-9-10-11-12(8)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,11,13)
InChIKeyPRGJLNYMPWDQSQ-UHFFFAOYSA-N
XLogP1.92
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.92
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-(2-cyclopentylethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione (CID 60919956) is 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione is S=c1nn[nH]n1CCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione?
The InChIKey is PRGJLNYMPWDQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c13-8-9-10-11-12(8)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,11,13).
What are the key properties of 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione?
1-(2-cyclopentylethyl)-2H-tetrazole-5-thione has a molecular weight of 198.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 60919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).