2-Nitro-1,3,4-thiadiazole
Basic information
- CAS
1606-77-5- Standard SMILES
O=[N+]([O-])c1nncs1- InChIKey
JQMZIFITLRHNAM-UHFFFAOYSA-N- Molecular formula
- C2HN3O2S
- Average molar mass
- 131.12 g/mol
- Monoisotopic mass
- 130.97894746
Names & identifiers
- Preferred name
- 2-Nitro-1,3,4-thiadiazole
- IUPAC
- 2-nitro-1,3,4-thiadiazole
Names & synonyms
2-nitro-1,3,4-thiadiazole1606-77-5NSC 150850NSC150850SCHEMBL5200707SCHEMBL9217454DTXSID50302405NSC-150850
Database identifiers
- CAS
1606-77-5- PubChem CID
- 289183
- DTXSID
DTXSID50302405
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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