Benzenethiol, 2-amino-4-nitro-, monosodium salt
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Basic information
- CAS
55720-21-3- Standard SMILES
Nc1cc([N+](=O)[O-])ccc1[S-].[Na+]- InChIKey
KTOQLQQTQJYGIP-UHFFFAOYSA-M- Molecular formula
- C6H5N2NaO2S
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 191.99694286
Names & identifiers
- Preferred name
- Benzenethiol, 2-amino-4-nitro-, monosodium salt
- IUPAC
- sodium 2-amino-4-nitrobenzenethiolate
- English name
- 2-AMINO-4-NITROTHIOPHENOL SODIUM SALT
- Molecular formula
- C6H5N2NaO2S
- Molecular weight
- 192.17087
Names & synonyms
Benzenethiol, 2-amino-4-nitro-, monosodium salt55720-21-3sodium 2-amino-4-nitrobenzenethiolatesodium;2-amino-4-nitrobenzenethiolate2-Amino-4-nitrobenzenethiol monosodium saltSCHEMBL3205777DTXSID70204255KTOQLQQTQJYGIP-UHFFFAOYSA-Msodium 2-amino-4-nitrothiophenoxideSodium 2-amino-4-nitrobenzene-1-thiolate2-AMINO-4-NITROTHIOPHENOL SODIUM SALT
Database identifiers
- CAS
55720-21-3- PubChem CID
- 5488199
- DTXSID
DTXSID70204255
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Related reactions
2 records
Compound notes
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