1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione

C11H23N5S — CID 22117036

IUPAC1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione
SMILESCCCCN(CCCC)C(C)n1[nH]nnc1=S
InChIInChI=1S/C11H23N5S/c1-4-6-8-15(9-7-5-2)10(3)16-11(17)12-13-14-16/h10H,4-9H2,1-3H3,(H,12,14,17)
InChIKeyBUGYVHVOVRXIHF-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.76
Rot. Bonds8

About 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione

1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 22117036) has the molecular formula C11H23N5S and a molecular weight of 257.41 g/mol. Its IUPAC name is 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID22117036
Molecular FormulaC11H23N5S
Molecular Weight257.41 g/mol
Exact Mass257.17
IUPAC Name1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione
SMILESCCCCN(CCCC)C(C)n1[nH]nnc1=S
InChIInChI=1S/C11H23N5S/c1-4-6-8-15(9-7-5-2)10(3)16-11(17)12-13-14-16/h10H,4-9H2,1-3H3,(H,12,14,17)
InChIKeyBUGYVHVOVRXIHF-UHFFFAOYSA-N
XLogP2.76
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-Butyl-5-mercaptotetrazole
CID 10931710
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
CID 18317168
1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione
CID 18341684
1-[4-(diethylamino)butyl]-2H-tetrazole-5-thione
CID 18341688
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 18341691
1-[3-(Dimethylamino)propyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 19868956
1-[1-(diethylamino)ethyl]-2H-tetrazole-5-thione
CID 23440554
1-[2-(dibutylamino)ethyl]-2H-tetrazole-5-thione
CID 53855670
1-[3-(diethylamino)propyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950417
1-[2-(diethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950422

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione (CID 22117036) is 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione is CCCCN(CCCC)C(C)n1[nH]nnc1=S.
What is the InChIKey of 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is BUGYVHVOVRXIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5S/c1-4-6-8-15(9-7-5-2)10(3)16-11(17)12-13-14-16/h10H,4-9H2,1-3H3,(H,12,14,17).
What are the key properties of 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione?
1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 257.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 22117036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).