Basic information
- CAS
32943-09-2- Standard SMILES
O=C(CNSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccccc1- InChIKey
FECWQAFGNJYDER-UHFFFAOYSA-N- Molecular formula
- C15H13N3O6S
- Average molar mass
- 363.3 g/mol
- Monoisotopic mass
- 363.05250632
Names & identifiers
- Preferred name
- DNPS-Gly-o-Bzl
- IUPAC
- benzyl 2-[(2,4-dinitrophenyl)sulfanylamino]acetate
Names & synonyms
DNPS-Gly-o-BzlMLS00317120332943-09-2benzyl 2-[(2,4-dinitrophenyl)sulfanylamino]acetateNSC363912DTXSID80320738NSC-363912SMR001875109DS-007234Benzyl N-[(2,4-dinitrophenyl)sulfanyl]glycinate
Database identifiers
- CAS
32943-09-2- PubChem CID
- 339019
- DTXSID
DTXSID80320738
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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