![CAS 1621962-49-9 2-{[dimethyl(oxo)-‘lamda’6-sulfanylidene]amino}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621962-49-9.gif)
CAS RN: 1621962-49-9
2-{[dimethyl(oxo)-‘lamda’6-sulfanylidene]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.20260224 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1621962-49-9
- Purity/Analytical Methods: >99.0%
1621962-49-9 / 2-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]acetic acid
Basic Information
CAS
1621962-49-9
Multi CAS
No
Molecular Formula
C4H9NO3S
Molecular Weight
151.190000
Exact Mass
151.030314
SMILES
CS(=NCC(=O)O)(=O)C
InChI
InChI=1S/C4H9NO3S/c1-9(2,8)5-3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKey
JWAUQEKIPIJNSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.92
TPSA
66.73
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.18
Consensus LogP
-0.13
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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