(2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
Basic information
- CAS
4874-42-4- Standard SMILES
N#CSCc1c[nH]c(=O)[nH]c1=O- InChIKey
UVZLQDAGIPVWPQ-UHFFFAOYSA-N- Molecular formula
- C6H5N3O2S
- Average molar mass
- 183.19 g/mol
- Monoisotopic mass
- 183.01024758
Names & identifiers
- Preferred name
- (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
- IUPAC
- (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
Names & synonyms
NSC5294524874-42-4DTXSID60326511NSC-529452DS-0056055-(thiocyanatomethyl)-1H-pyrimidine-2,4-dione(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl thiocyanate
Database identifiers
- CAS
4874-42-4- PubChem CID
- 352985
- DTXSID
DTXSID60326511
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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