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

C8H14N4S — CID 79363365

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione
SMILESCC1(C)C(n2[nH]nnc2=S)C1(C)C
InChIInChI=1S/C8H14N4S/c1-7(2)5(8(7,3)4)12-6(13)9-10-11-12/h5H,1-4H3,(H,9,11,13)
InChIKeyHIOHJDUSNXIJPS-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.94
Rot. Bonds1

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

1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione (PubChem CID 79363365) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione
PubChem CID79363365
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione
SMILESCC1(C)C(n2[nH]nnc2=S)C1(C)C
InChIInChI=1S/C8H14N4S/c1-7(2)5(8(7,3)4)12-6(13)9-10-11-12/h5H,1-4H3,(H,9,11,13)
InChIKeyHIOHJDUSNXIJPS-UHFFFAOYSA-N
XLogP1.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.94
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-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione (CID 79363365) is 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione is CC1(C)C(n2[nH]nnc2=S)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione?
The InChIKey is HIOHJDUSNXIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-7(2)5(8(7,3)4)12-6(13)9-10-11-12/h5H,1-4H3,(H,9,11,13).
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione?
1-(2,2,3,3-tetramethylcyclopropyl)-2H-tetrazole-5-thione has a molecular weight of 198.29 g/mol, XLogP of 1.94, 1 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)-2H-tetrazole-5-thione is sourced from PubChem (CID 79363365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).