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

C5H8N4S — CID 62408230

IUPAC1-(2-methylcyclopropyl)-2H-tetrazole-5-thione
SMILESCC1CC1n1[nH]nnc1=S
InChIInChI=1S/C5H8N4S/c1-3-2-4(3)9-5(10)6-7-8-9/h3-4H,2H2,1H3,(H,6,8,10)
InChIKeyIYEMPSIUQCJNOA-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.92
Rot. Bonds1

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

1-(2-methylcyclopropyl)-2H-tetrazole-5-thione (PubChem CID 62408230) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-2H-tetrazole-5-thione
PubChem CID62408230
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name1-(2-methylcyclopropyl)-2H-tetrazole-5-thione
SMILESCC1CC1n1[nH]nnc1=S
InChIInChI=1S/C5H8N4S/c1-3-2-4(3)9-5(10)6-7-8-9/h3-4H,2H2,1H3,(H,6,8,10)
InChIKeyIYEMPSIUQCJNOA-UHFFFAOYSA-N
XLogP0.92
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.92
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-methylcyclopropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione (CID 62408230) is 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione is CC1CC1n1[nH]nnc1=S.
What is the InChIKey of 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione?
The InChIKey is IYEMPSIUQCJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-3-2-4(3)9-5(10)6-7-8-9/h3-4H,2H2,1H3,(H,6,8,10).
What are the key properties of 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione?
1-(2-methylcyclopropyl)-2H-tetrazole-5-thione has a molecular weight of 156.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 62408230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).