CAS RN: 505-34-0
CHEIROLIN
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS505-34-0
- Purity/Analytical Methods: >99.0%
505-34-0 / 1-isothiocyanato-3-methylsulfonylpropane
Basic Information
CAS
505-34-0
Multi CAS
No
Molecular Formula
C5H9NO2S2
Molecular Weight
179.300000
Exact Mass
179.007471
InChI
InChI=1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3
InChIKey
ZSJGCHNCYSHQEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
44.22
TPSA
46.5
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
1.3
Consensus LogP
0.76
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.44
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
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