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

C9H10N4O2S — CID 15868799

IUPAC1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione
SMILESOCCOc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C9H10N4O2S/c14-5-6-15-8-3-1-7(2-4-8)13-9(16)10-11-12-13/h1-4,14H,5-6H2,(H,10,12,16)
InChIKeyXLRDYNTUPRWAGK-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.70
Rot. Bonds4

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

1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione (PubChem CID 15868799) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione
PubChem CID15868799
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione
SMILESOCCOc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C9H10N4O2S/c14-5-6-15-8-3-1-7(2-4-8)13-9(16)10-11-12-13/h1-4,14H,5-6H2,(H,10,12,16)
InChIKeyXLRDYNTUPRWAGK-UHFFFAOYSA-N
XLogP0.70
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2H-tetrazole-5-thione
CID 15868803
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenoxy]ethanone
CID 22265215
CID 162335780
CID 162335780
4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione
CID 90261032
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864
N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide
CID 15156957
N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide
CID 14453636
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547
5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione
CID 117230633
1-(4-methoxy-2-methylphenyl)-2H-tetrazole-5-thione
CID 62872818
CID 90413070
CID 90413070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione (CID 15868799) is 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione is OCCOc1ccc(-n2[nH]nnc2=S)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione?
The InChIKey is XLRDYNTUPRWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-5-6-15-8-3-1-7(2-4-8)13-9(16)10-11-12-13/h1-4,14H,5-6H2,(H,10,12,16).
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione?
1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione has a molecular weight of 238.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 15868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).