![CAS 51070-56-5 [(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51070-56-5.gif)
CAS RN: 51070-56-5
[(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)AMINO]ACETIC 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.20250905 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51070-56-5
- Purity/Analytical Methods: >99.0%
51070-56-5 / 2-[(1,1-dioxothiolan-3-yl)amino]acetic acid
Basic Information
CAS
51070-56-5
Multi CAS
Yes
Molecular Formula
C6H11NO4S
Molecular Weight
193.220000
Exact Mass
193.040879
InChI
InChI=1S/C6H11NO4S/c8-6(9)3-7-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)
InChIKey
NLJKAAYXSDTMSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.7
TPSA
83.47
LogP / Solubility
WLOGP
-1.15
MLOGP
-1.01
XLogP3
-3.3
Consensus LogP
-1.82
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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