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CAS 7236-57-9 Thymidine, 4-thio- molecular structure lightbox
CAS RN: 7236-57-9

Thymidine, 4-thio-

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250712 100mg Out of stock 15 business days Inquiry
Batchno.20250428 100mg In stock Shanghai Inquiry
Batchno.20250611 1g In stock Shanghai Inquiry
Batchno.20250128 250mg In stock Shanghai Inquiry
Batchno.20250502 25mg In stock Shanghai Inquiry
Batchno.20250430 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS7236-57-9
  • Purity/Analytical Methods: >99.0%
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7236-57-9 / 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one

Standard CAS: 7236-57-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7236-57-9
Multi CAS
Yes
Molecular Formula
C10H14N2O4S
Molecular Weight
258.300000
Exact Mass
258.067428
InChI
InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)17)8-2-6(14)7(4-13)16-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,17)/t6-,7+,8+/m0/s1
InChIKey
AVKSPBJBGGHUMW-XLPZGREQSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
62.24
TPSA
87.48

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.6
Consensus LogP
-0.29
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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