Basic information
- CAS
63681-88-9- Standard SMILES
O=NC1C(=O)NC(=S)NC1=O- InChIKey
DETGETIPVVSFBK-UHFFFAOYSA-N- Molecular formula
- C4H3N3O3S
- Average molar mass
- 173.15 g/mol
- Monoisotopic mass
- 172.98951214
Overview
See also: 4,6-Dihydroxy-2-mercapto-5-nitrosopyrimidine (annotation moved to).
Names & identifiers
- Preferred name
- 5-Nitroso-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 5-nitroso-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
63681-88-95-nitroso-2-sulfanylidene-1,3-diazinane-4,6-dioneNSC269726SCHEMBL9147353DTXSID503978965-Nitroso-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dioneNSC-269726
Database identifiers
- CAS
63681-88-9- PubChem CID
- 3908615
- DTXSID
DTXSID50397896
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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