2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine

C9H11N5S2 — CID 151884839

IUPAC2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine
SMILESc1ccc(SCCCSc2nn[nH]n2)nc1
InChIInChI=1S/C9H11N5S2/c1-2-5-10-8(4-1)15-6-3-7-16-9-11-13-14-12-9/h1-2,4-5H,3,6-7H2,(H,11,12,13,14)
InChIKeySPMDOMMNRZOGTF-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.87
Rot. Bonds6

About 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine

2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine (PubChem CID 151884839) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine
PubChem CID151884839
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC Name2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine
SMILESc1ccc(SCCCSc2nn[nH]n2)nc1
InChIInChI=1S/C9H11N5S2/c1-2-5-10-8(4-1)15-6-3-7-16-9-11-13-14-12-9/h1-2,4-5H,3,6-7H2,(H,11,12,13,14)
InChIKeySPMDOMMNRZOGTF-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine?
The IUPAC name of 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine (CID 151884839) is 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine.
What is the SMILES notation for 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine?
The canonical SMILES for 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine is c1ccc(SCCCSc2nn[nH]n2)nc1.
What is the InChIKey of 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine?
The InChIKey is SPMDOMMNRZOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-2-5-10-8(4-1)15-6-3-7-16-9-11-13-14-12-9/h1-2,4-5H,3,6-7H2,(H,11,12,13,14).
What are the key properties of 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine?
2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine has a molecular weight of 253.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine is sourced from PubChem (CID 151884839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).