Structure Info
- Chemspace ID
- CSCS00052115214 (Synthesis)
- MFCD
- MFCD28778117
- IUPAC Name
- methyl 5-cyano-2-nitro-3-sulfanylbenzoate
- Mol formula
- C9H6N2O4S
- Mol weight
- 238 Da
- Catalog Number(s)
- A015012843, BBV-78529055, CSC052115214, FCH4256019
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.87
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00052115214
Items Overall 2 items from 2 suppliers
Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
---|---|---|---|---|---|---|
Alichem | TBD | United States To: | 95 | 1 g | POA | |
Description: CAS: 1804880-27-0 | ||||||
Enamine MADE BBs | TBD | Ukraine To: | 95 | 1 g | POA |
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