1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione

C9H16N4S — CID 79363278

IUPAC1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione
SMILESCC1(C)C(Cn2[nH]nnc2=S)C1(C)C
InChIInChI=1S/C9H16N4S/c1-8(2)6(9(8,3)4)5-13-7(14)10-11-12-13/h6H,5H2,1-4H3,(H,10,12,14)
InChIKeyGFSGYYKKICXNCR-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.02
Rot. Bonds2

About 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione

1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione (PubChem CID 79363278) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione
PubChem CID79363278
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione
SMILESCC1(C)C(Cn2[nH]nnc2=S)C1(C)C
InChIInChI=1S/C9H16N4S/c1-8(2)6(9(8,3)4)5-13-7(14)10-11-12-13/h6H,5H2,1-4H3,(H,10,12,14)
InChIKeyGFSGYYKKICXNCR-UHFFFAOYSA-N
XLogP2.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-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-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione (CID 79363278) is 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione is CC1(C)C(Cn2[nH]nnc2=S)C1(C)C.
What is the InChIKey of 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione?
The InChIKey is GFSGYYKKICXNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-8(2)6(9(8,3)4)5-13-7(14)10-11-12-13/h6H,5H2,1-4H3,(H,10,12,14).
What are the key properties of 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione?
1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione has a molecular weight of 212.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 79363278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).