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CAS 5840-77-7 4-[2-(methylthio)ethyl]oxazolidine-2,5-dione molecular structure lightbox
CAS RN: 5840-77-7

4-[2-(methylthio)ethyl]oxazolidine-2,5-dione

  • Product code: SSC-166644
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5840-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

5840-77-7 / 4-(2-methylsulfanylethyl)-1,3-oxazolidine-2,5-dione

Standard CAS: 5840-77-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5840-77-7
Multi CAS
Yes
Molecular Formula
C6H9NO3S
Molecular Weight
175.210000
Exact Mass
175.030314
InChI
InChI=1S/C6H9NO3S/c1-11-3-2-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKey
HIHFRAZOZMTUMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.41
TPSA
55.4

LogP / Solubility

WLOGP
0.37
MLOGP
0.33
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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