Basic information
- CAS
101952-79-8- Standard SMILES
N#CSCCCCCOC(=O)c1cccnc1- InChIKey
MIEUZIWGYDQEJP-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- Nicotinic acid, 5-thiocyanatopentyl ester
- IUPAC
- 5-thiocyanatopentyl pyridine-3-carboxylate
- English name
- 5-thiocyanatopentyl pyridine-3-carboxylate
- Molecular formula
- C12H14N2O2S
- Molecular weight
- 0
Names & synonyms
101952-79-8NICOTINIC ACID, 5-THIOCYANATOPENTYL ESTER5-Thiocyanatopentyl nicotinateBRN 0198675DTXSID501444285-(Thiocyanato)pentyl pyridine-3-carboxylate3-Pyridinecarboxylic acid, 5-thiocyanatopentyl ester5-thiocyanatopentyl pyridine-3-carboxylate
Database identifiers
- CAS
101952-79-8- PubChem CID
- 59191
- DTXSID
DTXSID50144428- Nikkaji
- J68.330B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
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…