1-cyclohexyl-2H-tetrazole-5-thione

C14H24N8S2 — CID 141382481

IUPAC1-cyclohexyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCCCC1.S=c1nn[nH]n1C1CCCCC1
InChIInChI=1S/2C7H12N4S/c2*12-7-8-9-10-11(7)6-4-2-1-3-5-6/h2*6H,1-5H2,(H,8,10,12)
InChIKeyHVTNGJOXGJWJTD-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.68
Rot. Bonds2

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

1-cyclohexyl-2H-tetrazole-5-thione (PubChem CID 141382481) has the molecular formula C14H24N8S2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 1-cyclohexyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-cyclohexyl-2H-tetrazole-5-thione
PubChem CID141382481
Molecular FormulaC14H24N8S2
Molecular Weight368.54 g/mol
Exact Mass368.16
IUPAC Name1-cyclohexyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCCCC1.S=c1nn[nH]n1C1CCCCC1
InChIInChI=1S/2C7H12N4S/c2*12-7-8-9-10-11(7)6-4-2-1-3-5-6/h2*6H,1-5H2,(H,8,10,12)
InChIKeyHVTNGJOXGJWJTD-UHFFFAOYSA-N
XLogP3.68
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-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-cyclohexyl-2H-tetrazole-5-thione?
The IUPAC name of 1-cyclohexyl-2H-tetrazole-5-thione (CID 141382481) is 1-cyclohexyl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-cyclohexyl-2H-tetrazole-5-thione?
The canonical SMILES for 1-cyclohexyl-2H-tetrazole-5-thione is S=c1nn[nH]n1C1CCCCC1.S=c1nn[nH]n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2H-tetrazole-5-thione?
The InChIKey is HVTNGJOXGJWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N4S/c2*12-7-8-9-10-11(7)6-4-2-1-3-5-6/h2*6H,1-5H2,(H,8,10,12).
What are the key properties of 1-cyclohexyl-2H-tetrazole-5-thione?
1-cyclohexyl-2H-tetrazole-5-thione has a molecular weight of 368.54 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2H-tetrazole-5-thione is sourced from PubChem (CID 141382481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).