3-(1-Methyl-1,2,3,4-tetrazol-5-yl)sulfinylpropyl 2-pyridyl sulfoxide

HCID 13061983
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nnnc1S(=O)CCCS(=O)c1ccccn1
InChIKey
YBLGGGKVMVFASM-UHFFFAOYSA-N
Molecular formula
C10H13N5O2S2
Average molar mass
299.4 g/mol

Names & identifiers

Preferred name
3-(1-Methyl-1,2,3,4-tetrazol-5-yl)sulfinylpropyl 2-pyridyl sulfoxide
IUPAC
2-[3-(1-methyltetrazol-5-yl)sulfinylpropylsulfinyl]pyridine

Names & synonyms

SCHEMBL10969033YBLGGGKVMVFASM-UHFFFAOYSA-N3-(1-methyl-1,2,3,4-tetrazol-5-yl)sulfinylpropyl 2-pyridyl sulfoxide

Database identifiers

PubChem CID
13061983

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
129 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

Loading…