CAS RN: 1113-13-9
Propanethiosulfonic acid S-propyl ester
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250127 | 100mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20260517 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250701 | 1g | Out of stock | Inquiry | ||
| Batchno.20260518 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250916 | 5g | Out of stock | Inquiry |
- Product code: SSC-012105
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1113-13-9 / 1-propylsulfonylsulfanylpropane
1-Propanesulfonothioic acid, S-propyl ester | Propyl propane thiosulfonate | Proallium SO DMC
Basic Information
CAS
1113-13-9
Multi CAS
Yes
Molecular Formula
C6H14O2S2
Molecular Weight
182.300000
Exact Mass
182.043522
SMILES
CCCSS(=O)(=O)CCC
InChI
InChI=1S/C6H14O2S2/c1-3-5-9-10(7,8)6-4-2/h3-6H2,1-2H3
InChIKey
OUIASSQOLAEHIR-UHFFFAOYSA-N
Synonyms
1-Propanesulfonothioic acid, S-propyl ester
Propyl propane thiosulfonate
Proallium SO DMC
S-Propyl propanethiosulfonate
FEMA No. 4263
Physical Properties
Density
1.119-1.123
Physical Description
Colourless to yellow liquid; Cooked brown roasted aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
46.83
TPSA
34.14
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.5
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
