Propionic acid, 2-methyl-2-(2-pyridylthio)-(8CI)
Basic information
- CAS
32002-86-1- Standard SMILES
CC(C)(Sc1ccccn1)C(=O)O- InChIKey
ZOMNMLSTNJZRBU-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
Names & identifiers
- Preferred name
- Propionic acid, 2-methyl-2-(2-pyridylthio)-(8CI)
- IUPAC
- 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid
- English name
- Propionic acid, 2-methyl-2-(2-pyridylthio)- (8CI)
- Molecular formula
- C9H11NO2S
- Molecular weight
- 197.25
Names & synonyms
32002-86-1CHEMBL575541Propionic acid, 2-methyl-2-(2-pyridylthio)- (8CI)AKOS0174178842-Methyl-2-(2-pyridinylthio)propanoic acidPropanoic acid, 2-methyl-2-(2-pyridinylthio)-
Database identifiers
- CAS
32002-86-1- ChEMBL
CHEMBL575541
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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