Basic information
- CAS
122568-03-0- Standard SMILES
Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=S- InChIKey
FLRWGUIHNUCNJN-JGVFFNPUSA-N- Molecular formula
- C10H14N2O3S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.07251349
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
- 3'-Deoxy-4-thiothymidine
- IUPAC
- 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
- English name
- 3'-deoxy-4-thiothymidine
- Molecular formula
- C10H14N2O3S
- Molecular weight
- 242.29476
Names & synonyms
3'-Deoxy-4-thiothymidineDdthds122568-03-0DTXSID90153650RefChem:90364DTXCID3076141CHEMBL871271-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-oneThymidine, 3'-deoxy-4-thio-orb1698859SCHEMBL1144933BDBM50013109
Show more names
3'-deoxy-4-thio-3'Deoxy4thiothymidine,3' Deoxy 4 thiothymidine3,4-Dihydro-5-methyl-1-[(5β-hydroxymethyltetrahydrofuran)-2β-yl]-4-thioxopyrimidin-2(1H)-one
AKOS040749944T293931-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one1-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (ddThdS)1-[(2R,5S)-5-(Hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
Database identifiers
- CAS
122568-03-0- PubChem CID
- 3000253
- DTXSID
DTXSID90153650- ChEMBL
CHEMBL87127
Properties
Computed structural properties
- XLogP
- -1.1
- 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
- 356
Experimental & physicochemical properties
LogP0.44
Chemistry & industry
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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