CAS RN: 931-07-7
4-Nitro-isothiazole
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-207102
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 | Shanghai | Inquiry |
931-07-7 / 4-nitro-1,2-thiazole
Basic Information
CAS
931-07-7
Multi CAS
No
Molecular Formula
C3H2N2O2S
Molecular Weight
130.130000
Exact Mass
129.983698
InChI
InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-8-2-3/h1-2H
InChIKey
FNXPAYVHLSTHQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
28.77
TPSA
56.03
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.77
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
