Basic information
- CAS
101952-67-4- Standard SMILES
CSCCOC(=O)c1cccnc1- InChIKey
RBIKYSUIHYRVQL-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- Nicotinic acid, 2-(methylthio)ethyl ester
- IUPAC
- 2-methylsulfanylethyl pyridine-3-carboxylate
- English name
- 2-methylsulfanylethyl pyridine-3-carboxylate
- Molecular formula
- C9H11NO2S
- Molecular weight
- 197.25
Names & synonyms
101952-67-4NICOTINIC ACID, 2-(METHYLTHIO)ETHYL ESTER2-(Methylthio)ethyl nicotinate2-methylsulfanylethyl pyridine-3-carboxylateBRN 01432602-methylsulfanylethylpyridine-3-carboxylate2-(METHYLSULFANYL)ETHYL PYRIDINE-3-CARBOXYLATEDTXSID001444183-Pyridinecarboxylic acid, 2-(methylthio)ethyl ester
Database identifiers
- CAS
101952-67-4- PubChem CID
- 59178
- DTXSID
DTXSID00144418- Nikkaji
- J68.313B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…