![CAS 155329-60-5 2-[(5-MERCAPTO-1,3,4-THIADIAZOL-2-YL)THIO]-N-PROPYLACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1686375.gif)
CAS RN: 155329-60-5
2-[(5-MERCAPTO-1,3,4-THIADIAZOL-2-YL)THIO]-N-PROPYLACETAMIDE
- Product code: SSC-064620
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 |
155329-60-5 / N-propyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
Basic Information
CAS
155329-60-5
Multi CAS
No
Molecular Formula
C7H11N3OS3
Molecular Weight
249.400000
Exact Mass
249.006426
SMILES
CCCNC(=O)CSC1=NNC(=S)S1
InChI
InChI=1S/C7H11N3OS3/c1-2-3-8-5(11)4-13-7-10-9-6(12)14-7/h2-4H2,1H3,(H,8,11)(H,9,12)
InChIKey
XCDDHXUELYDWNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.32
TPSA
57.78
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
2.1
Consensus LogP
1.84
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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