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

C6H10N4S — CID 130921367

IUPAC1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione
SMILESCCC1(n2[nH]nnc2=S)CC1
InChIInChI=1S/C6H10N4S/c1-2-6(3-4-6)10-5(11)7-8-9-10/h2-4H2,1H3,(H,7,9,11)
InChIKeyWFYHWAJZTACCLY-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.23
Rot. Bonds2

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

1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione (PubChem CID 130921367) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione
PubChem CID130921367
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione
SMILESCCC1(n2[nH]nnc2=S)CC1
InChIInChI=1S/C6H10N4S/c1-2-6(3-4-6)10-5(11)7-8-9-10/h2-4H2,1H3,(H,7,9,11)
InChIKeyWFYHWAJZTACCLY-UHFFFAOYSA-N
XLogP1.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.23
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-tert-butyl-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
CID 2729625
1-(2-methylbutan-2-yl)-2H-tetrazole-5-thione
CID 19938992
1-(3-ethylpentan-3-yl)-2H-tetrazole-5-thione
CID 65039042
1-(2-cyclopropylpropan-2-yl)-2H-tetrazole-5-thione
CID 105782112
1-(3-methylpentan-3-yl)-2H-tetrazole-5-thione
CID 106328900
1-(2-methylpentan-2-yl)-2H-tetrazole-5-thione
CID 116081378
1-(1-methylcyclopropyl)-2H-tetrazole-5-thione
CID 116192650
1-(1-methylcyclobutyl)-2H-tetrazole-5-thione
CID 116192651
1-(1-propylcyclopropyl)-2H-tetrazole-5-thione
CID 131025866

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione (CID 130921367) is 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione is CCC1(n2[nH]nnc2=S)CC1.
What is the InChIKey of 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione?
The InChIKey is WFYHWAJZTACCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-6(3-4-6)10-5(11)7-8-9-10/h2-4H2,1H3,(H,7,9,11).
What are the key properties of 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione?
1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione has a molecular weight of 170.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopropyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 130921367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).