2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine

Name: 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₁N₅S — CID 117058714

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine

SMILESc1ccc(CSc2ncccc2-n2cnnn2)cc1

InChIInChI=1S/C13H11N5S/c1-2-5-11(6-3-1)9-19-13-12(7-4-8-14-13)18-10-15-16-17-18/h1-8,10H,9H2

InChIKeyOFTBXUGGHDHSOY-UHFFFAOYSA-N

MW269.33 g/mol

LogP2.35

Rot. Bonds4

About 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine

2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine (PubChem CID 117058714) has the molecular formula C₁₃H₁₁N₅S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine.

Molecular Properties

Compound Name	2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine
PubChem CID	117058714
Molecular Formula	C₁₃H₁₁N₅S
Molecular Weight	269.33 g/mol
Exact Mass	269.07
IUPAC Name	2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine
SMILES	c1ccc(CSc2ncccc2-n2cnnn2)cc1
InChI	InChI=1S/C13H11N5S/c1-2-5-11(6-3-1)9-19-13-12(7-4-8-14-13)18-10-15-16-17-18/h1-8,10H,9H2
InChIKey	OFTBXUGGHDHSOY-UHFFFAOYSA-N
XLogP	2.35
TPSA	56.49 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.33
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine?

The IUPAC name of 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine (CID 117058714) is 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine.

What is the SMILES notation for 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine?

The canonical SMILES for 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine is c1ccc(CSc2ncccc2-n2cnnn2)cc1.

What is the InChIKey of 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine?

The InChIKey is OFTBXUGGHDHSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-5-11(6-3-1)9-19-13-12(7-4-8-14-13)18-10-15-16-17-18/h1-8,10H,9H2.

What are the key properties of 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine?

2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine has a molecular weight of 269.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine is sourced from PubChem (CID 117058714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117058714 — identifiers, structure, computed properties (public domain)

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