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

C7H12N4S — CID 64688632

IUPAC1-(1-methylcyclopentyl)-2H-tetrazole-5-thione
SMILESCC1(n2[nH]nnc2=S)CCCC1
InChIInChI=1S/C7H12N4S/c1-7(4-2-3-5-7)11-6(12)8-9-10-11/h2-5H2,1H3,(H,8,10,12)
InChIKeyNOGAFWVRALWUHI-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.62
Rot. Bonds1

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

1-(1-methylcyclopentyl)-2H-tetrazole-5-thione (PubChem CID 64688632) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2H-tetrazole-5-thione
PubChem CID64688632
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-(1-methylcyclopentyl)-2H-tetrazole-5-thione
SMILESCC1(n2[nH]nnc2=S)CCCC1
InChIInChI=1S/C7H12N4S/c1-7(4-2-3-5-7)11-6(12)8-9-10-11/h2-5H2,1H3,(H,8,10,12)
InChIKeyNOGAFWVRALWUHI-UHFFFAOYSA-N
XLogP1.62
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione (CID 64688632) is 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione is CC1(n2[nH]nnc2=S)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione?
The InChIKey is NOGAFWVRALWUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-7(4-2-3-5-7)11-6(12)8-9-10-11/h2-5H2,1H3,(H,8,10,12).
What are the key properties of 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione?
1-(1-methylcyclopentyl)-2H-tetrazole-5-thione has a molecular weight of 184.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 64688632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).