CAS RN: 80466-80-4
2,4-Dimethyl-1,3-thiazole-5-sulfonyl chloride
- Product code: SSC-189297
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 |
80466-80-4 / 2,4-dimethyl-1,3-thiazole-5-sulfonyl chloride
Basic Information
CAS
80466-80-4
Multi CAS
No
Molecular Formula
C5H6CLNO2S2
Molecular Weight
211.700000
Exact Mass
210.952849
InChI
InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3
InChIKey
GFFJSTHQILQFNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
44.63
TPSA
47.03
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
2.1
Consensus LogP
1.76
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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