CAS RN: 291-21-4
1,3,5-Trithiane
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
- Product code: SSC-131330
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
291-21-4 / 1,3,5-trithiane
Basic Information
CAS
291-21-4
Multi CAS
No
Molecular Formula
C3H6S3
Molecular Weight
138.300000
Exact Mass
137.963164
InChI
InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
InChIKey
LORRLQMLLQLPSJ-UHFFFAOYSA-N
Physical Properties
Melting Point
220 °C
Physical Description
White solid with a strong offensive odor;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
37.37
TPSA
75.9000
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
2.2
Consensus LogP
2.03
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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