1-cyclobutyl-2H-tetrazole-5-thione

C5H8N4S — CID 62415780

IUPAC1-cyclobutyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCC1
InChIInChI=1S/C5H8N4S/c10-5-6-7-8-9(5)4-2-1-3-4/h4H,1-3H2,(H,6,8,10)
InChIKeyFOIREIFZEPSTJT-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.06
Rot. Bonds1

About 1-cyclobutyl-2H-tetrazole-5-thione

1-cyclobutyl-2H-tetrazole-5-thione (PubChem CID 62415780) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-cyclobutyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-cyclobutyl-2H-tetrazole-5-thione
PubChem CID62415780
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name1-cyclobutyl-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1C1CCC1
InChIInChI=1S/C5H8N4S/c10-5-6-7-8-9(5)4-2-1-3-4/h4H,1-3H2,(H,6,8,10)
InChIKeyFOIREIFZEPSTJT-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydro-1-(1-methylethyl)-5H-tetrazole-5-thione
CID 7131396
1-Cyclopentyl-1H-tetrazole-5-thiol
CID 729454
1-cyclopropyl-1H-1,2,3,4-tetrazole-5-thiol
CID 7131465
1-Butyl-5-mercaptotetrazole
CID 10931710
1-(4-fluorobutyl)-2H-tetrazole-5-thione
CID 130592980
1-(3,3-Difluorocyclobutyl)-1h-1,2,3,4-tetrazole-5-thiol
CID 164651853
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 18341691
1-pentan-2-yl-2H-tetrazole-5-thione
CID 20652922
1-(Butan-2-yl)-1,2-dihydro-5H-tetrazole-5-thione
CID 43149233
1-[2-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 175027590
1-[1-(dimethylamino)butan-2-yl]-2H-tetrazole-5-thione
CID 175027592
1-[4-(dimethylamino)butan-2-yl]-2H-tetrazole-5-thione
CID 61512421

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2H-tetrazole-5-thione?
The IUPAC name of 1-cyclobutyl-2H-tetrazole-5-thione (CID 62415780) is 1-cyclobutyl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-cyclobutyl-2H-tetrazole-5-thione?
The canonical SMILES for 1-cyclobutyl-2H-tetrazole-5-thione is S=c1nn[nH]n1C1CCC1.
What is the InChIKey of 1-cyclobutyl-2H-tetrazole-5-thione?
The InChIKey is FOIREIFZEPSTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c10-5-6-7-8-9(5)4-2-1-3-4/h4H,1-3H2,(H,6,8,10).
What are the key properties of 1-cyclobutyl-2H-tetrazole-5-thione?
1-cyclobutyl-2H-tetrazole-5-thione has a molecular weight of 156.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2H-tetrazole-5-thione is sourced from PubChem (CID 62415780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).