Basic information
- CAS
7150-83-6- Standard SMILES
Cc1cn(C2CC(O)C(CS)O2)c(=O)[nH]c1=O- InChIKey
CPEAGKYEYPXTSP-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06742793
Names & identifiers
- Preferred name
- 1-(2-Deoxy-5-thiopentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
- IUPAC
- 1-[4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
7150-83-61-(2-deoxy-5-thiopentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dioneNSC72561NCIOpen2_003837DTXSID60291038NSC-72561
Database identifiers
- CAS
7150-83-6- PubChem CID
- 251785
- DTXSID
DTXSID60291038
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
1 records
Compound notes
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