1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione

C12H16N4O3S — CID 15868803

IUPAC1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione
SMILESCOCCOCCOc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C12H16N4O3S/c1-17-6-7-18-8-9-19-11-4-2-10(3-5-11)16-12(20)13-14-15-16/h2-5H,6-9H2,1H3,(H,13,15,20)
InChIKeyXHKFZDZELPEUNU-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.37
Rot. Bonds8

About 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione

1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione (PubChem CID 15868803) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione
PubChem CID15868803
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione
SMILESCOCCOCCOc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C12H16N4O3S/c1-17-6-7-18-8-9-19-11-4-2-10(3-5-11)16-12(20)13-14-15-16/h2-5H,6-9H2,1H3,(H,13,15,20)
InChIKeyXHKFZDZELPEUNU-UHFFFAOYSA-N
XLogP1.37
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione
CID 15868799
[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 101488478
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione (CID 15868803) is 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione is COCCOCCOc1ccc(-n2[nH]nnc2=S)cc1.
What is the InChIKey of 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione?
The InChIKey is XHKFZDZELPEUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-17-6-7-18-8-9-19-11-4-2-10(3-5-11)16-12(20)13-14-15-16/h2-5H,6-9H2,1H3,(H,13,15,20).
What are the key properties of 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione?
1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione has a molecular weight of 296.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 15868803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).