CAS RN: 74708-34-2
(S)-2-Mercaptosuccinic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260507 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS74708-34-2
- Purity/Analytical Methods: >99.0%
74708-34-2 / 2-sulfanylbutanedioic acid
Basic Information
CAS
74708-34-2
Multi CAS
Yes
Molecular Formula
C4H6O4S
Molecular Weight
150.160000
Exact Mass
149.998680
InChI
InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKey
NJRXVEJTAYWCQJ-REOHCLBHSA-N
Physical Properties
Physical Description
White solid with a sulfudic odor; [Merck Index] Light brown solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.66
TPSA
74.6
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.4
Consensus LogP
-0.23
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-3.75
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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