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

C6H10N4S — CID 126981538

IUPAC1-(2-methylcyclobutyl)-2H-tetrazole-5-thione
SMILESCC1CCC1n1[nH]nnc1=S
InChIInChI=1S/C6H10N4S/c1-4-2-3-5(4)10-6(11)7-8-9-10/h4-5H,2-3H2,1H3,(H,7,9,11)
InChIKeyVBRKMXHIZWELBW-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.31
Rot. Bonds1

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

1-(2-methylcyclobutyl)-2H-tetrazole-5-thione (PubChem CID 126981538) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-methylcyclobutyl)-2H-tetrazole-5-thione
PubChem CID126981538
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name1-(2-methylcyclobutyl)-2H-tetrazole-5-thione
SMILESCC1CCC1n1[nH]nnc1=S
InChIInChI=1S/C6H10N4S/c1-4-2-3-5(4)10-6(11)7-8-9-10/h4-5H,2-3H2,1H3,(H,7,9,11)
InChIKeyVBRKMXHIZWELBW-UHFFFAOYSA-N
XLogP1.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.31
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-methylcyclobutyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione (CID 126981538) is 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione is CC1CCC1n1[nH]nnc1=S.
What is the InChIKey of 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione?
The InChIKey is VBRKMXHIZWELBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-2-3-5(4)10-6(11)7-8-9-10/h4-5H,2-3H2,1H3,(H,7,9,11).
What are the key properties of 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione?
1-(2-methylcyclobutyl)-2H-tetrazole-5-thione has a molecular weight of 170.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclobutyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 126981538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).