CAS RN: 7634-96-0
Propionic acid, 3-mercapto-2-(mercaptomethyl)-
- Product code: SSC-185777
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
7634-96-0 / 3-sulfanyl-2-(sulfanylmethyl)propanoic acid
Basic Information
CAS
7634-96-0
Multi CAS
No
Molecular Formula
C4H8O2S2
Molecular Weight
152.200000
Exact Mass
151.996572
InChI
InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)
InChIKey
KRHAHEQEKNJCSD-UHFFFAOYSA-N
Physical Properties
Melting Point
59.5 - 60.5 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.83
TPSA
37.3
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.3
Consensus LogP
0.44
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.26
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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