Sulfonidazole
Basic information
- CAS
1615-53-8- Standard SMILES
Cn1c([N+](=O)[O-])cnc1S(C)(=O)=O- InChIKey
RSOPCRYPVDDVAX-UHFFFAOYSA-N- Molecular formula
- C5H7N3O4S
- Average molar mass
- 205.19 g/mol
- Monoisotopic mass
- 205.01572689
Overview
structure in first source
Names & identifiers
- Preferred name
- Sulfonidazole
- IUPAC
- 1-methyl-2-methylsulfonyl-5-nitroimidazole
- English name
- sulfonidazole
- Molecular formula
- C5H7N3O4S
- Molecular weight
- 205.19
Names & synonyms
1615-53-8SulfonidazoleDTXSID70167159RefChem:186585DTXCID40896501-methyl-2-(methylsulfonyl)-5-nitro-1h-imidazole1-methyl-2-methylsulfonyl-5-nitroimidazole1-METHYL-2-METHYLSULPHONYL-5-NITRO-IMIDAZOLEMFCD264073202-Methanesulfonyl-1-methyl-5-nitro-1H-imidazole1-methyl-2-methylsulfonyl-5-nitro-imidazole1H-Imidazole, 1-methyl-2-(methylsulfonyl)-5-nitro-
Show more names
CHEMBL139243SCHEMBL10627956RSOPCRYPVDDVAX-UHFFFAOYSA-NNSC326150SC5104AKOS027252261NSC 326150NSC-326150
Database identifiers
- CAS
1615-53-8- PubChem CID
- 100595
- DTXSID
DTXSID70167159- ChEMBL
CHEMBL139243- Nikkaji
- J693.922H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 91 · 91.0-92.5 °C
- Boiling point
- 424.8 · 424.8±37.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.92 · -2.92±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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