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

C7H6N4OS — CID 4769983

IUPAC1-(2-hydroxyphenyl)-2H-tetrazole-5-thione
SMILESOc1ccccc1-n1[nH]nnc1=S
InChIInChI=1S/C7H6N4OS/c12-6-4-2-1-3-5(6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChIKeyPWFHWLAJOYCJOZ-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.03
Rot. Bonds1

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

1-(2-hydroxyphenyl)-2H-tetrazole-5-thione (PubChem CID 4769983) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2H-tetrazole-5-thione
PubChem CID4769983
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name1-(2-hydroxyphenyl)-2H-tetrazole-5-thione
SMILESOc1ccccc1-n1[nH]nnc1=S
InChIInChI=1S/C7H6N4OS/c12-6-4-2-1-3-5(6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChIKeyPWFHWLAJOYCJOZ-UHFFFAOYSA-N
XLogP1.03
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxyphenyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione (CID 4769983) is 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione is Oc1ccccc1-n1[nH]nnc1=S.
What is the InChIKey of 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione?
The InChIKey is PWFHWLAJOYCJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c12-6-4-2-1-3-5(6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13).
What are the key properties of 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione?
1-(2-hydroxyphenyl)-2H-tetrazole-5-thione has a molecular weight of 194.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 4769983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).