1,2-diphenyltetrazole-5-thione

C13H10N4S — CID 15410222

IUPAC1,2-diphenyltetrazole-5-thione
SMILESS=c1nnn(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C13H10N4S/c18-13-14-15-17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1-10H
InChIKeyPCDIMLBBSYZLDG-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds2

About 1,2-diphenyltetrazole-5-thione

1,2-diphenyltetrazole-5-thione (PubChem CID 15410222) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 1,2-diphenyltetrazole-5-thione.

Molecular Properties

Compound Name1,2-diphenyltetrazole-5-thione
PubChem CID15410222
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name1,2-diphenyltetrazole-5-thione
SMILESS=c1nnn(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C13H10N4S/c18-13-14-15-17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1-10H
InChIKeyPCDIMLBBSYZLDG-UHFFFAOYSA-N
XLogP2.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
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-diphenyltetrazole-5-thione?
The IUPAC name of 1,2-diphenyltetrazole-5-thione (CID 15410222) is 1,2-diphenyltetrazole-5-thione.
What is the SMILES notation for 1,2-diphenyltetrazole-5-thione?
The canonical SMILES for 1,2-diphenyltetrazole-5-thione is S=c1nnn(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 1,2-diphenyltetrazole-5-thione?
The InChIKey is PCDIMLBBSYZLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c18-13-14-15-17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 1,2-diphenyltetrazole-5-thione?
1,2-diphenyltetrazole-5-thione has a molecular weight of 254.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyltetrazole-5-thione is sourced from PubChem (CID 15410222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).