CAS RN: 4779-86-6
SODIUM 1-BUTANETHIOLATE
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.20250224 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4779-86-6
- Purity/Analytical Methods: >99.0%
4779-86-6 / sodium butane-1-thiolate
Basic Information
CAS
4779-86-6
Multi CAS
Yes
Molecular Formula
AsC4H9N
Molecular Weight
112.170000
Exact Mass
112.032266
InChI
InChI=1S/C4H10S.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1/p-1
InChIKey
VTLWRSNWWLIJTQ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
27.14
TPSA
1.0000
LogP / Solubility
WLOGP
-1.66
MLOGP
-1.47
XLogP3
-1.66
Consensus LogP
-1.6
Log S (ESOL)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
0.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
Class (SILICOS-IT)
Highly 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)
-4.58
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
1.5
