Basic information
- CAS
4874-04-8- Standard SMILES
O=c1[nH]cc(CSSCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1- InChIKey
TVDAAIZJGSQAKD-UHFFFAOYSA-N- Molecular formula
- C10H10N4O4S2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.01434716
Names & identifiers
- Preferred name
- 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyldisulfanyl]methyl]-1H-pyrimidine-2,4-dione
- IUPAC
- 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyldisulfanyl]methyl]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC5293754874-04-8SCHEMBL4346481DTXSID50326505NSC-529375DS-0056305,5'-[Disulfanediylbis(methylene)]di(pyrimidine-2,4(1H,3H)-dione)5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyldisulfanylmethyl]-1H-pyrimidine-2,4-dione
Database identifiers
- CAS
4874-04-8- PubChem CID
- 352964
- DTXSID
DTXSID50326505
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…