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

C13H11N5S — CID 117058714

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 Name2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine
PubChem CID117058714
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-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
XLogP2.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzylsulfanylpyridine-3-carbaldehyde
CID 4531915
2-(tetrazol-1-yl)pyridine
CID 11679840
1-(2-methylsulfanylphenyl)tetrazole
CID 12777466
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 35271332
2-benzylsulfanyl-3-chloropyridine;formic acid
CID 174946739
1-(2-methylphenyl)tetrazole;hydrochloride
CID 174468330
2-[2-(tetrazol-1-yl)phenyl]ethanol
CID 70103004
2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 17422807
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
2-benzylsulfanyl-N-tert-butyl-N-methylpyridine-3-sulfonamide
CID 14371973
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
1-benzylsulfanyl-5-bromoisoquinoline
CID 168877814

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).