5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione

HCID 352986

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4874-03-7
Standard SMILES: O=c1[nH]cc(CSCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIKey: NEEJFEFWZHXMJU-UHFFFAOYSA-N
Molecular formula: C10H10N4O4S
Average molar mass: 282.28 g/mol
Monoisotopic mass: 282.04227599

Names & identifiers

Preferred name: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
IUPAC: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione

Names & synonyms

NSC5294834874-03-75-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dioneSCHEMBL4344338DTXSID20326512NSC-529483DS-0056315,5'-[Sulfanediylbis(methylene)]di(pyrimidine-2,4(1H,3H)-dione)

Database identifiers

CAS: 4874-03-7
PubChem CID: 352986
DTXSID: DTXSID20326512

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 142 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 480

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…