2',3'-Didehydro-3'-deoxy-4-thiothymidine
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Basic information
- CAS
5983-08-4- Standard SMILES
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=S- InChIKey
AMSFVDRQDYZGRS-JGVFFNPUSA-N- Molecular formula
- C10H12N2O3S
- Average molar mass
- 240.28 g/mol
- Monoisotopic mass
- 240.05686342
Overview
moderately active in protecting HIV-induced cytopathogenicity of MT-2 and CEM cells; RN and structure given in first source
Names & identifiers
- Preferred name
- 2',3'-Didehydro-3'-deoxy-4-thiothymidine
- IUPAC
- 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
- English name
- 2',3'-didehydro-3'-deoxy-4-thiothymidine
- Molecular formula
- C10H12N2O3S
- Molecular weight
- 240.27888
Names & synonyms
Ddethds2',3'-Didehydro-3'-deoxy-4-thiothymidine5983-08-4DTXSID30208557RefChem:80030DTXCID80131048CHEMBL868614-Thio-D4T1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-oneSCHEMBL30413619AMSFVDRQDYZGRS-JGVFFNPUSA-NBDBM50013110
Show more names
3,4-Dihydro-5-methyl-1-[(5β-hydroxymethyl-2,5-dihydrofuran)-2β-yl]-4-thioxopyrimidin-2(1H)-one
2',3',-Didehydro-3'-deoxy-4-thiothymidineThymidine, 2',3'-didehydro-3'-deoxy-4-thio-1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)-4-thiothymine1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (ddeThdS)1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
Database identifiers
- CAS
5983-08-4- PubChem CID
- 3000238
- DTXSID
DTXSID30208557- ChEMBL
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
LogP0.09
Related reactions
1 records
Compound notes
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