Basic information
- CAS
134111-33-4- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)[nH]c1=O- InChIKey
IVUDHNYLTWOARV-XLPZGREQSA-N- Molecular formula
- C10H14N2O4S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06742811
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 4'-Thiothymidine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 4'-thiothymidine
- Molecular formula
- C10H14N2O4S
- Molecular weight
- 258.29
Names & synonyms
4'-Thiothymidine134111-33-42'-deoxy-4'-thiothymidineRefChem:96094Thymidine, 4'-thio-BRN 4322066CHEMBL445596SCHEMBL1942500DTXSID20928454IVUDHNYLTWOARV-XLPZGREQSA-N1-(2-Deoxy-4-thiopentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
Show more names
4’-thio thymidine4’-thio-2’-deoxy-5-methyluridine
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
134111-33-4- PubChem CID
- 72371
- DTXSID
DTXSID20928454- ChEMBL
CHEMBL445596- Nikkaji
- J424.134G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Chemistry & industry
Suppliers8 total
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-55159968 18137130222 · [email protected]
Related reactions
1 records
Compound notes
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