Structure Info
- Chemspace ID
- CSSB00020597465 (In-Stock Building Blocks)
- MFCD
- MFCD06191773
- IUPAC Name
- methyl 2-isothiocyanato-4,5-dimethoxybenzoate
- Mol formula
- C11H11NO4S
- Mol weight
- 253 Da
- Catalog Number(s)
- AA0095JK, AGNPC-0NY6NZ, ALBB-013137, BB53-1506, BD181281, CSC020597465, F95191, FM122635, JH614398, LN00163693, LS-04100, M239585, OSSL_477306, STL139338, Y4130434
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.68
- Heavy atoms count
- 17
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 57
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00020597465
Items Overall 5 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
|---|---|---|---|---|---|---|
| AA Blocks CN | 12 days | China To: | 90 | 500 mg | 507 | |
| AA Blocks CN | 12 days | China To: | 90 | 1 g | 542 | |
Description: Benzoic acid, 2-isothiocyanato-4,5-diMethoxy-, Methyl ester; CAS: 113417-46-2 | ||||||
| eNovation CN | 20 days | China To: | 95 | 100 mg | 155 | |
| eNovation CN | 20 days | China To: | 95 | 250 mg | 224 | |
| eNovation CN | 20 days | China To: | 95 | 1 g | 425 | |
Description: methyl 2-isothiocyanato-4,5-dimethoxybenzoate; CAS: 113417-46-2 | ||||||
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