CAS RN: 6156-18-9
2,2-Bis(methylthio)propane
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6156-18-9
- Purity/Analytical Methods: >99.0%
6156-18-9 / 2,2-bis(methylsulfanyl)propane
Basic Information
CAS
6156-18-9
Multi CAS
Yes
Molecular Formula
C5H12S2
Molecular Weight
136.300000
Exact Mass
136.038043
InChI
InChI=1S/C5H12S2/c1-5(2,6-3)7-4/h1-4H3
InChIKey
BBYNYNMPOUQKKS-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.11
TPSA
50.6000
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-1.81
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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