1-(3-aminophenyl)-2H-tetrazole-5-thione

C7H7N5S — CID 3018086

IUPAC1-(3-aminophenyl)-2H-tetrazole-5-thione
SMILESNc1cccc(-n2[nH]nnc2=S)c1
InChIInChI=1S/C7H7N5S/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,8H2,(H,9,11,13)
InChIKeyRGALEZGQSYLWSN-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.91
Rot. Bonds1

About 1-(3-aminophenyl)-2H-tetrazole-5-thione

1-(3-aminophenyl)-2H-tetrazole-5-thione (PubChem CID 3018086) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(3-aminophenyl)-2H-tetrazole-5-thione
PubChem CID3018086
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC Name1-(3-aminophenyl)-2H-tetrazole-5-thione
SMILESNc1cccc(-n2[nH]nnc2=S)c1
InChIInChI=1S/C7H7N5S/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,8H2,(H,9,11,13)
InChIKeyRGALEZGQSYLWSN-UHFFFAOYSA-N
XLogP0.91
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(3-aminophenyl)-2H-tetrazole-5-thione (CID 3018086) is 1-(3-aminophenyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(3-aminophenyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(3-aminophenyl)-2H-tetrazole-5-thione is Nc1cccc(-n2[nH]nnc2=S)c1.
What is the InChIKey of 1-(3-aminophenyl)-2H-tetrazole-5-thione?
The InChIKey is RGALEZGQSYLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,8H2,(H,9,11,13).
What are the key properties of 1-(3-aminophenyl)-2H-tetrazole-5-thione?
1-(3-aminophenyl)-2H-tetrazole-5-thione has a molecular weight of 193.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 3018086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).