4-Thio-6-azauridine
Basic information
- CAS
33782-14-8- Standard SMILES
O=c1[nH]c(=S)cnn1C1OC(CO)C(O)C1O- InChIKey
LRSIGCMTHPQZHT-UHFFFAOYSA-N- Molecular formula
- C8H11N3O5S
- Average molar mass
- 261.26 g/mol
- Monoisotopic mass
- 261.04194163
Names & identifiers
- Preferred name
- 4-Thio-6-azauridine
- IUPAC
- 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,2,4-triazin-3-one
Names & synonyms
4-Thio-6-azauridineNSC285692DTXSID40955363LRSIGCMTHPQZHT-UHFFFAOYSA-NZINC01865752NSC-2856923-Hydroxy-2-pentofuranosyl-1,2,4-triazine-5(2H)-thione1-[2-[2H,4H-1,2,4-Triazin-3-one-5-thione]]-1-deoxy-.beta.-d-ribose
Database identifiers
- CAS
33782-14-8- PubChem CID
- 5207484
- DTXSID
DTXSID40955363
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
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Related reactions
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Compound notes
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