1-(3-methylcyclopentyl)-2H-tetrazole-5-thione

C7H12N4S — CID 114548482

IUPAC1-(3-methylcyclopentyl)-2H-tetrazole-5-thione
SMILESCC1CCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C7H12N4S/c1-5-2-3-6(4-5)11-7(12)8-9-10-11/h5-6H,2-4H2,1H3,(H,8,10,12)
InChIKeyHSXBEBHQKKMTLC-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.70
Rot. Bonds1

About 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione

1-(3-methylcyclopentyl)-2H-tetrazole-5-thione (PubChem CID 114548482) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-2H-tetrazole-5-thione
PubChem CID114548482
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-(3-methylcyclopentyl)-2H-tetrazole-5-thione
SMILESCC1CCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C7H12N4S/c1-5-2-3-6(4-5)11-7(12)8-9-10-11/h5-6H,2-4H2,1H3,(H,8,10,12)
InChIKeyHSXBEBHQKKMTLC-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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-(3-methylcyclopentyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione (CID 114548482) is 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione is CC1CCC(n2[nH]nnc2=S)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione?
The InChIKey is HSXBEBHQKKMTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-2-3-6(4-5)11-7(12)8-9-10-11/h5-6H,2-4H2,1H3,(H,8,10,12).
What are the key properties of 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione?
1-(3-methylcyclopentyl)-2H-tetrazole-5-thione has a molecular weight of 184.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 114548482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).