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CAS 3625-85-2 (S)-Tiopronin molecular structure lightbox
CAS RN: 3625-85-2

(S)-Tiopronin

  • Product code: SSC-143419
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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: 1g
  • 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 3625-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3625-85-2 / 2-[[(2S)-2-sulfanylpropanoyl]amino]acetic acid

Standard CAS: 3625-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3625-85-2
Multi CAS
No
Molecular Formula
C5H9NO3S
Molecular Weight
163.200000
Exact Mass
163.030314
InChI
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1
InChIKey
YTGJWQPHMWSCST-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.09
TPSA
66.4

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.1
Consensus LogP
-0.34
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.07

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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