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

C9H16N4S — CID 60920974

IUPAC1-(2-cyclohexylethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CCC1CCCCC1
InChIInChI=1S/C9H16N4S/c14-9-10-11-12-13(9)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,12,14)
InChIKeyYHNQQTMCUHYRPR-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.31
Rot. Bonds3

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

1-(2-cyclohexylethyl)-2H-tetrazole-5-thione (PubChem CID 60920974) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-2H-tetrazole-5-thione
PubChem CID60920974
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-(2-cyclohexylethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CCC1CCCCC1
InChIInChI=1S/C9H16N4S/c14-9-10-11-12-13(9)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,12,14)
InChIKeyYHNQQTMCUHYRPR-UHFFFAOYSA-N
XLogP2.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione (CID 60920974) is 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione is S=c1nn[nH]n1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione?
The InChIKey is YHNQQTMCUHYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c14-9-10-11-12-13(9)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,12,14).
What are the key properties of 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione?
1-(2-cyclohexylethyl)-2H-tetrazole-5-thione has a molecular weight of 212.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 60920974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).