4-Thiothymidine 3',5'-dibenzoate

CAS

93841-35-1

Catalog Number

ACM93841351

Category

Other Products

Molecular Weight

466.506280 [g/mol]

Molecular Formula

C₂₄H₂₂N₂O₆S

MSDS COA Spec Sheet

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Specification

Synonyms

4-Thiothymidine 3,5-dibenzoate, EINECS 299-004-5, 93841-35-1

IUPAC Name

[(2R,3S,5R)-3-benzoyloxy-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate

Canonical SMILES

CC1=CN(C(=O)NC1=S)C2CC(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI Key

DTXPUJHMWWHYNV-XUVXKRRUSA-N

Melting Point

159-160 °C (ethanol)

Density

1.40±0.1 g/cm³ (20 °C, 760 mmHg)

EC Number

299-004-5

Exact Mass

466.12000

H-Bond Acceptor

H-Bond Donor

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